Abstract
In his classic work The Mind and its Place in Nature published in 1925 at the height of the development of quantum mechanics but several years after the chemists Lewis and Langmuir had already laid the foundations of the modern theory of valence with the introduction of the covalent bond, the analytic philosopher C. D. Broad argued for the emancipation of chemistry from the crass physicalism that led physicists then and later—with support from a rabblement of philosophers who knew as much about chemistry as etymologists—to believe that chemistry reduced to physics. Here Broad’s thesis is recast in terms more familiar to chemists. In the hard sell of particle physics, several prominent figures in chemistry—Hoffmann, Primas, and Pauling—have had their views interpreted to imply that they were sympathetic to greedy reductionism when in fact they were not. Indeed, being chemists without physicists as alter egos, they could not but side with Broad’s contention that chemistry, as a science that deals primarily in emergent phenomena which are beyond the purview of physicalism, owes no acquiescence to particle physics and its ethereal wares. Historically, among the most widely used expediencies in chemistry and materials science are additivity or mixture rules and their cohort transferability, all of which are devised and used under the mantle of naive reductionism. Here it is argued that while the transfer of functional groups between molecules works empirically to an extent, it is strictly outlawed by the no-cloning theorem of quantum mechanics. Several illustrative examples related to chemistry’s irreducibility to physics are presented and discussed. The failure of naive reductionism exhibited by the deep-inelastic scattering of leptons by A > 2 nuclei is traced to the same flawed reasoning that was the original basis of Moffitt’s ‘atoms in molecules’ hypothesis, the neglect of context, nuclei in the case of high-energy physics and molecules in the case of chemistry. A non-exhaustive list of other contexts from physics, chemistry, and molecular biology evidencing similar departures from the ideal of additivity or reductionism is provided for the perusal of philosophers. Had the call by the mathematician J. T. Schwartz for developments in mathematical linguistics possessed of a less single, less literal, and less simple-minded nature been met, perhaps it might have persuaded scientists to abandon their regressive fixation with unphysical reductionism and to adapt to new methodologies that engender a more nuanced handling of ubiquitous emergent phenomena as they arise in Nature than is the case today.
Similar content being viewed by others
Notes
It is rare to find in the technical literature physicists acknowledging a belief that the principle of reductionism is also a principle of physics. In the opening sentence of H. Spiesberger, M. Spira, and P. M. Zerwas’ The Standard Model: Physical Basis and Scattering Experiments essay, in: R. Pike and P. Sabatier (eds.), Scattering, Academic Press, San Diego (2002), they affirm (loc. cit., p. 1505) that “A most fundamental element of physics is the reduction principle.”
See also, M. Alonso’s Comments on Primas’ essay with a rebuttal by Primas, loc. cit, pp. 134–143.
Therein a consistent set of recommended Pascal constants for estimating the diamagnetism of a molecule is provided from the mess of values scattered in the primary and secondary literature.
There it is demonstrated that two fermions, each moving in a harmonic potential in addition to being coupled via harmonic oscillator forces, behave differently than if they were uncoupled: the Hartree-Fock ground state is never the same as the exact ground state as long as the particles interact; and in the exact ground state, the two interacting particles are not the same as two noninteracting particles, the whole being different than the sum of the parts just as Schrödinger (1935) had long anticipated.
I am grateful to Professor A. J. Stace, F.R.S for enlightening me on the likely difficulties in observing gas phase Be solution chemistry.
Let there be no misunderstanding, the change in 7Be’s half-life with chemical environment is so small that it has no bearing whatsoever on the chronography of the universe and the time since the big bang that life first evolved via natural selection on Earth or anywhere else for that matter.
For the quiet of Kuhnian relativists, it is to be noted that ‘context’ in respect to the objective reality of nucleons in a nucleus or atoms in a molecule is invariant across the same nuclei or the same molecules, respectively, whatever the anthropological milieu wherever they be found.
Cartwright’s ’dappled’ world that Anderson got so worked up about was from the opening line of Pied Beauty, one of three curtal (=3/4 Petrarchan) sonnets by the Victorian poet Gerard Manley Hopkins, S.J.
DNA’s information is encoded classically in the identities of its ATCG bases and not in its state so that life is a go via cloning or replication.
References
Adam, A.M.: Farewell to certitude: Einstein’s novelty on induction and deduction, fallibilism. J. Gen. Philos. Sci. 31, 19 (2000)
Adler, S.L.: Generalized bag models as mean-field approximations to QCD. Phys. Lett. B 110, 302 (1982)
Adler, S.L.: Quantum Theory as an Emergent Phenomenon. Cambridge University Press, Cambridge, UK (2004)
Admal, N.C., Tadmor, E.B.: A unified interpretation of stress in molecular systems. J. Elast. 100, 63 (2010)
Admal, N.C., Tadmor, E.B.: A unified interpretation of stress in molecular systems. J. Chem. Phys. 134, 184106 (2011) et passim
Akoury, D. et al.: The simplest double slit: Interference and entanglement in double photoionization of H2. Science 318, 949 (2007)
Al-affan, I.A.M., Watt, D.E.: Mean excitation energies for molecules in gaseous and condensed phases. Radiat. Protect. Dosim. 11, 113 (1985)
Alastuey, A. et al.: Exact results for thermodynamics of the hydrogen plasma: Low-temperature expansions beyond Saha theory. J. Stat. Phys. 130, 1119 (2008)
Allen, L.C.: Chemistry and electronegativity. Int. J. Quantum Chem. 49, 253 (1994)
Allred, A.L.: Electronegativity values from thermochemical data. J. Inorg. Nucl. Chem. 17, 215 (1961)
Anderson, P.W.: More is different. Science 177, 393 (1972)
Anderson, P.W.: Science: a ‘dappled world’ or a ‘seamless web’? Stud. Hist. Phil. Mod. Phys. 32, 487 (2001)
Antezza, M. et al.: Casimir-Lifshitz force out of thermal equilibrium and asymptotic nonadditivity. Phys. Rev. Lett. 97, 223203 (2006)
Appelquist, T., Carazzone, J.: Infrared singularities and massive fields. Phys. Rev. D 11, 2856 (1975)
Applequist, J., Carl, J.R., Fung, K.-K.: An atom dipole interaction model for molecular polarizability. Application to polyatomic molecules and determination of atom polarizabilities. J. Am. Chem. Soc. 94, 2952 (1972)
Arai, T.: Application of the method of deformed atoms in molecules to the hydrogen molecule. J. Chem. Phys. 26, 451 (1957)
Arai, T.: General analysis of various methods of atoms in molecules. Rev. Mod. Phys. 32, 370 (1960)
Arai, K. et al.: Structure of the mirror nuclei 9Be and 9B in a microscopic cluster model. Phys. Rev. C 54, 132 (1996)
Arnold, R.G. et al.: Comparison of the deep-inelastic structure functions of deuterium and aluminum nuclei. Phys. Rev. Lett. 52, 727 (1984)
Ashman, J. et al.: European Muon collaboration. A measurement of the spin asymmetry and determination of the structure function g 1 in deep inelastic muon-proton scattering. Phys. Lett. 206, 364 (1988)
Athar, M.S., Simó, I.R., Vacas, M.J.V.: Nuclear medium modification of the F 2 (x,Q 2) structure function. Nucl. Phys. A 857, 29 (2011)
Aubert, J.J. et al. [European Muon Collaboration]: The ratio of the nucleon structure functions F N2 for iron and deuterium. Phys. Lett. B 123, 275 (1983)
Audi, G. et al.: The NUBASE evaluation of nuclear and decay properties. Nucl. Phys. A 729, 3 (2003)
Austern, N.: Evaluation of the interaction effect in n-p capture. Phys. Rev. 92, 670 (1953)
Austern, N., Ross, M.: Evaluation of the interaction effect in n-p capture. Phys. Rev. 117, 1506 (1960)
Austern, N., Sachs, R.G.: Interaction effects on radiative transitions in nuclei. Phys. Rev. 81, 710 (1951)
Avbelj, F., Baldwin, R.L.: Limited validity of group additivity for the folding energetics of the peptide group. Proteins 63, 283 (2006)
Axilrod, B.M., Teller, E.: Interaction of the van der Waals type between three atoms. J. Chem. Phys. 11, 299 (1943)
Bain, G.A., Berry, J.F.: Diamagnetic corrections and Pascal’s constants. J. Chem. Ed. 85, 532 (2008)
Baird, D., Scerri, E., McIntyre, L. (eds.): Philosophy of Chemistry, Synthesis of a New Discipline. Springer, Dordrecht (2006)
Basu, D., Ghose, P.: Comments on “New extended model of hadrons”. Phys. Rev. D 12, 4006 (1975)
Batista, E.R., Xantheas, S.S., Jónsson, H.: Molecular multipole moments of water molecules in ice Ih. J. Chem. Phys. 109, 4546 (1998)
Batterman, R.W.: The Devil in the Details, Asymptotic Reasoning in Explanation, Reduction, and Emergence. Oxford University Press, New York (2002)
Benoist, P. et al.: The decay probability of 7Be as a function of the ionization of the atom. Phys. Rev. 76, 1000 (1949)
Bensaude-Vincent, B., Simon, J.: Chemistry, The Impure Science. Imperial College Press, London (2008)
Benson, S.W.: Thermochemical Kinetics, Methods for the Estimation of Thermochemical Data and Rate Parameters, 2nd ed. Wiley, New York (1973)
Benson, S.W., Buss, J.H.: Additivity rules for the estimation of molecular properties. Thermodynamic properties. J. Chem. Phys. 29, 546 (1958)
Berkowitz, J.: Atomic and Molecular Photoabsorption. Academic Press, San Diago, CA (2002)
Bhushan, N., Rosenfeld, S. (eds.): Of Minds and Molecules, New Philosophical Perspectives on Chemistry. Oxford University Press, New York (2000)
Bingel, W.A.: United atom treatment of the behavior of potential energy curves of diatomic molecules for small R. J. Chem. Phys. 30, 1250 (1959)
Bissantz, C., Kuhn, B., Stahl, M.: A medicinal chemist’s guide to molecular interactions. J. Med. Chem. 53, 5061 (2010)
Blanco, F., Garcia, G.: Screening corrections for calculation of electron scattering differential cross sections from polyatomic molecules. Phys. Lett. A 330, 230 (2004)
Blankenbecler, R. et al.: Some tests of relativistic SU(6) schemes. Phys. Rev. Lett. 14, 518 (1965)
Blin-Stoyle, R.J.: Theories of nuclear moments. Rev. Mod. Phys. 28, 75 (1956)
Bobeldijk, M., van der Zande, W.J., Kistemaker, P.G.: Simple models for the calculation of photoionization and electron impact ionization cross sections of polyatomic molecules. Chem. Phys. 179, 125 (1994)
Bodek, A. et al.: Electron scattering from nuclear targets and quark distributions in nuclei. Phys. Rev. Lett. 50, 1431 (1983)
Bodek, A.: Comparison of the deep-inelastic structure functions of deuterium and aluminum nuclei. Phys. Rev. Lett. 51, 534 (1983)
Born, M.: Zur Quantenmechanik der Stoßvorgänge. Z. Phys. 37, 863 (1926a)
Born, M.: Quantenmechanik der Stoßvorgänge. Z. Phys. 38, 803 (1926b)
Born, M.: The statistical interpretation of quantum mechanics. Science 122, 675 (1955)
Bouchez, R. et al.: Variation de la période du nuclide 7Be en fonction du degré d’ionisation de l’atome. J. Phys. Radium 8, 336 (1947)
Bouchez, R. et al.: Nouvelle détermination de la différence des périodes de 7Be métallique et de 7BeF2. J. Phys. Radium 17, 363 (1956)
Boys, S.F.: Construction of some molecular orbitals to be approximately invariant for changes from one molecule to another, Rev. Mod. Phys. 32, 296 (1960)
Braaten, E., Hammer, H.-W.: Universality in few-body systems with large scattering length. Phys. Rep. 428, 259 (2006) et passim
Brady, G.P., Sharp, K.A.: Decomposition of interaction free energies in proteins and other complex systems. J. Mol. Biol. 254, 77 (1995)
Bragg, W.H.: Studies in Radioactivity. MacMillan, London (1912)
Broad, C.D.: The Mind and its Place in Nature. Harcourt Brace, New York (1925)
Brock, C.W., Glusker, J.P.: Organization of water around a beryllium cation. Inorg. Chem. 32, 1242 (1993)
Brooks, D.H.M.: How to perform a reduction. Philos. Phenom, Res. 54, 803 (1994)
Brown, G.E., Rho, M.: The little bag. Phys. Lett. B 82, 177 (1979)
Brown, G.E., Rho, M., Vento, V.: Little bag dynamics. Phys. Lett. B 84, 383 (1979)
Brown, L.M., Pais, A., Pippard, B. (eds.): Twentieth Century Physics. Institute of Physics, Bristol and Philadelphia (1995)
Brüche, E.: Wirkungsquerschnitt und Molekelbau in der Pseudoedelgasreihe, Ne–HF–H2O−NH3−CH4. Ann. Phys. (Leipzig) 1, 93 (1929)
Bužek, V., Hillery, M.: Quantum copying: beyond the no-cloning theorem. Phys. Rev. A 54, 1844 (1996)
Bunge, M.: Is chemistry a branch of physics? J. Gen. Philos. Sci. 13, 209 (1982)
Burkard, G., Brito, F.: Nonadditivity of decoherence rates in superconducting qubits. Phys. Rev. B 72, 054528 (2005)
Byers Brown, W.: On the quantal virial equation for the pressure. J. Chem. Phys. 28, 522 (1958)
Cahn, R.N.: The eighteen arbitrary parameters of the standard model in your everyday life. Rev. Mod. Phys. 68, 951 (1996)
Canton, S.E. et al.: Direct observation of Young’s double-slit interferences in vibrationally resolved photoionization of diatomic molecules. Proc. Natl. Acad. Sci. USA 108, 7302 (2011)
Cao, T.Y. (ed.): Conceptual Foundations Quantum Field Theory. Cambridge University Press, Cambridge, UK (1999)
Cao, T.Y.: Conceptual Developments of 20th Century Field Theories. Cambridge University Press, Cambridge, UK, 1997), Sec. 11.4.
Cayley, A.: On the mathematical theory of isomers. Phil. Mag. 67, 444 (1874)
Chodos, A. et al.: New extended model of hadrons. Phys. Rev. D 9, 3471 (1974)
Clementi, E. et al.: Nonadditivity of interaction in water trimers. Int. J. Quantum Chem. 17, 377 (1980)
Clough, S.A. et al.: Dipole moment of water from Stark measurements of H2O, HDO, and D2O. J. Chem. Phys. 59, 2254 (1973)
Congreve, M. et al.: Recent developments in fragment-based drug discovery. J. Med. Chem. 52, 3661 (2008)
Cooper, D.L. (ed.): Valence Bond Theory. Elsevier, Amsterdam (2002)
Corey, E.J.: The logic of chemical synthesis: Multistep synthesis of complex carbogenic molecules. Angew. Chem. Int. Ed. Engl. 30, 455 (1991)
Cowan, C.L. Jr. et al.: Detection of the free neutrino: a confirmation. Science 124, 103 (1956)
Crum Brown, A.: On an application of mathematics to chemistry. Trans. R. Soc. Edin. 24, 691 (1867)
Crum Brown, A.: Presidential address of the chemistry section. In: Report of the Forty-Fourth Meeting of the British Association for the Advancement of Science, held at Belfast in August 1874, pp. 45–50. John Murray, London (1875)
Cuddell, J.R. et al. [COMPETE Collaboration]: Hadronic scattering amplitudes: medium-energy constraints on asymptotic behavior. Phys. Rev. D 65, 074024 (2002)
Curceanu, C. et al.: Experimental tests of quantum mechanics: Pauli exclusion principle violation (the VIP experiment) and future perspectives. Physics Procedia 17, 40 (2011)
Curtiss, C.F., Hirschfelder, J.O.: Integration of stiff equations. Proc. Natl. Acad. Sci. USA 38, 235 (1952)
Daudel, R.: Altérations des périodes radioactives sous l’influence des méthodes chimiques. Rev. Sci. Paris 85, 162 (1947)
DeGrand, T. et al.: Masses and other parameters of the light hadrons. Phys. Rev. D 12, 2060 (1975)
Dempster, A.J.: A new method of positive ray analysis. Phys. Rev. 9, 316 (1918)
Denbigh, K.G.: The polarizabilities of bonds. I, Trans. Faraday Soc. 36, 936 (1940)
de Vries, R.Y., Briels, W.J., Feil, D.: Critical analysis of non-nuclear electron-density maxima and the maximum entropy method. Phys. Rev. Lett. 77, 1719 (1996)
DeTar, C.E., Donoghue, J.F.: Bag models of hadrons. Ann. Rev. Nucl. Part. Sci. 33, 235 (1983)
DeVoe, H.: Optical properties of molecular aggregates. I. Classical model of electronic absorption and refraction. J. Chem. Phys. 41, 393 (1964)
DeVoe, H.: Optical properties of molecular aggregates. II. Classical theory of the refraction, absorption, and optical activity of solutions and crystals. J. Chem. Phys. 43, 3199 (1965)
Dieks, D.: Communication by EPR devices. Phys. Lett. A 92, 271 (1982)
Dill, J.A.: Additivity principles in biochemistry. J. Biol. Chem. 272, 701 (1997)
Dingley, A.J., Cordier, F., Grzesiek, S.: An introduction to hydrogen bond scalar couplings. Concepts Mag. Reson. 13, 103 (2001) et passim
Dirac, P.A.M.: Quantum mechanics of many-electron systems. Proc. R. Soc. Lond. A 123, 714 (1929)
Duck, I., Sudarshan, E.C.G.: Pauli and the Spin-Statistics Theorem. WSP, River Edge, NJ (1997)
Duck, I., Sudarshan, E.C.G.: Toward an understanding of the spin-statistics theorem. Am. J. Phys. 66, 284 (1998)
Dür, W., Cirac, J.I., Horodecki, P.: Nonadditivity of quantum capacity for multiparty communication channels. Phys. Rev. Lett. 93, 020503 (2004)
Earley, Sr., J.E. (ed.): Chemical explanation: Characteristics, development, autonomy. New York Academy of Sciences, New York (2003)
Ebeling, W.: Statistische Thermodynamik der gebundenen Zustände in Plasmen. Ann. Phys. 474, 104 (1967)
Edmiston, C., Ruedenberg, K.: Localized atomic and molecular orbitals. Rev. Mod. Phys. 35, 457 (1963)
Efimov, V.: Energy levels arising from resonant two-body forces in a three-body system. Phys. Lett. B 33, 563 (1970)
Efimov, V.: Weakly-bound states of three resonantly-interacting particles. Sov. J. Nucl. Phys. 12, 589 (1971)
Efimov, V.: Energy levels of three resonantly-interacting particles. Nucl. Phys. A 210, 157 (1973)
Einstein, A., Infeld, L.: The Evolution of Physics, p. 312. Cambridge University Press, New York (1938)
Eldredge, N., Gould, S.J.: Punctuated equilibria: An alternative to phyletic gradualism. In: Schopf, T.J.M. (ed.) Models in Paleobiology, pp. 82–115. Freeman Cooper & Co., San Francisco (1972)
Elliott, J.P.: The shell model today. Nucl. Phys. A 507, 15 (1990)
Ellison, F.O.: A method of diatomics in molecules. I. General theory and application to H2O. J. Am. Chem. Soc. 85, 3540 (1963)
Emery, G.T.: Perturbation of nuclear decay rates. Ann. Rev. Nucl. Sci. 22, 165 (1972)
Fedak, W.A., Prentis, J.J.: The 1925 Born and Jordan paper "On quantum mechanics". Am. J. Phys. 77, 128 (2009) et passim
Feigenbaum, J.A., Freund, P.G.O., Pigli, M.: High energy hadronic total cross sections. Phys. Rev. D 56, 2596 (1997)
Fisher, M.E.: Condensed matter physics: does quantum mechanics matter? In: Feshbach, H., Matsui, T., Oleson, A. (eds.) Niels Bohr, Physics and the World, pp. 65–115. Harwood Academic Publishers, Chur, CH (1988)
Fitch, W.L., Sauter, A.D.: Calculation of relative electron impact total ionization cross sections for organic molecules. Anal. Chem. 55, 832 (1983)
Foster, K.R., Huber, P.W.: Judging Science, Scientific Knowledge and the Federal Courts. MIT Press, Cambridge, MA (1998)
Fowler, R.H.: A report on homopolar valency and its quantum mechanical interpretation. In: Chemistry at the Centenary (1931) Meeting of the British Association for the Advancement of Science, pp. 226–246. W. Heffter & Sons, Ltd., Cambridge, UK (1932)
Freund, P.G.O.: Relation between πp, pp, and \(\overline{p} p\) scattering at high energies. Phys. Rev. Lett. 15:929 (1965)
Fröhlich, H.: A solution of the Schrödinger equation by a perturbation of the boundary conditions. Phys. Rev. 54, 945 (1938)
Gaskell, D. et al. [JLab Collaboration]: New measurements of the EMC effect in light nuclei and at large x. Presented at the sixth international conference on perspectives in hadronic physics, May 2008. AIP Conf. Proc. 1056, 148 (2008)
Geesaman, D.F., Saito, K., Thomas, A.W.: The nuclear EMC effect, Ann. Rev. Nucl. Part. Sci. 45, 337 (1995) et passim
Ghose, P.: First-order formalism for scalar fields and the MIT bag model. Phys. Rev. D 16, 1974 (1977)
Gomez, J. et al.: Measurement of the A dependence of deep-inelastic electron scattering. Phys. Rev. D 49, 4348 (1994)
Grattan-Guinness, I.: Solving Wigner’s mystery: the reasonable (though perhaps limited) effectiveness of mathematics in the natural sciences. Math. Intell. 30, 7 (2008)
Greensite, J.: An Introduction to the Confinement Problem. Springer, Berlin (2011)
Gu, J., Xie, Y., Schaefer, H.F. III: Near 0 eV electrons attach to nucleotides. J. Am. Chem. Soc. 128, 1250 (2006)
Guo, J.-H. et al.: X-ray emission spectroscopy of hydrogen bonding and electronic structure of liquid water. Phys. Rev. Lett. 89, 137402 (2002)
Gupta, S. et al.: Scale for the phase diagram of quantum chromodynamics. Science 332, 1525 (2011)
Hamming, R.W.: The unreasonable effectiveness of mathematics. Am. Math. Monthly 87, 81 (1980)
Hartmann, S., Hoefer, C., Bovens, L. (eds.): Nancy Cartwright’s Philosophy of Science. Routledge, New York (2008)
Hasenfratz, P., Kuti, J.: The quark bag mode. Phys. Rept. 40, 75 (1978)
Hashimoto, K., Yoda, N., Iwata, S.: Theoretical study of hydrated Be2+ ions. Chem. Phys. 116, 193 (1987)
Heisenberg, W.: Quantum theory and its interpretation. In: Rozental, S. (ed.) Niels Bohr: His Life and Work As Seen by His Friends and Colleagues, pp. 94–108. North-Holland, Amsterdam (1967)
Heisenberg, W.: Contribution to discussion on the structure of simple molecules. In: Chemistry at the Centenary (1931) Meeting of the British Association for the Advancement of Science, pp. 247–248. W. Heffter & Sons, Ltd., Cambridge, UK (1932)
Heitler, W., Rumer, G.: Quantentheorie der chemischen Bindung für mehratomige Moleküle. Z. Physik 68, 12 (1931)
Hinshelwood, C.N.: The more recent work on the reaction between hydrogen and oxygen. Proc. R. Soc. Lond. A 188, 1 (1946)
Hirai, M. et al.: Clustering aspects in nuclear structure functions. Phys. Rev. C 83, 035202 (2011)
Hoffmann, R.: Under the surface of the chemical article, Angew. Chem. Int. Ed. Engl. 27, 1593 (1988)
Hoffmann, R., Minkin, V.L., Carpenter, B.K.: Ockham’s razor and chemistry. HYLE—Int. J. Phil. Chem. 3, 3 (1997)
Hohenberg, P., Kohn, W.: Inhomogeneous electron gas. Phys. Rev. B 136, 864 (1964)
Hollett, J.W., McKemmish, L.K., Gill, P.M.W.: The nature of electron correlation in a dissociating bond. J. Chem. Phys. 134, 224103 (2011)
Horodecki, R. et al.: Quantum entanglement. Rev. Mod. Phys. 81, 856 (2009)
Huang, J., Fan, X.: Why QSAR fails. An empirical evaluation using conventional computational approach. Mol. Pharmaceutics 8, 600 (2011)
Hund, F.: Early history of the quantum mechanical treatment of the chemical bond. Angew. Chem. Int. Ed. Engl. 16, 87 (1977)
Hunt, K.L.C.: The energy as a functional of the charge density and the charge-density susceptibility: a simple, exact, nonlocal expression for the electronic energy of a molecule. J. Chem. Phys. 116, 5440 (2002)
Hurley, A.C.: On the method of atoms in molecules. Proc. Phys. Soc. A 68, 149 (1955)
Hurley, A.C.: On the method of atoms in molecules. II: an intra-atomic correlation correction. Proc. Phys. Soc. A 69, 49 (1956)
Hurley, A.C.: Role of atomic valence states in molecular energy calculations. J. Chem. Phys. 28, 532 (1958)
Hurley, A.C.: Elimination of atomic errors from molecular calculations. Rev. Mod. Phys. 35, 448 (1963)
Irving, J.H., Kirkwood, J.G.: The statistical mechanical theory of transport processes. IV. The equations of hydrodynamics. J. Chem. Phys. 18, 817 (1950)
Isaacs, E.D. et al.: Covalency of the hydrogen bond in ice: a direct X-ray measurement. Phys. Rev. Lett. 82, 4445 (1999)
Isaacs, E.D. et al.: Compton scattering evidence for covalency of the hydrogen bond in ice. J. Phys. Chem. Solids 61, 403 (2000)
Iversen, B.B. et al.: Experimental evidence for the existence of non-nuclear maxima in the electron-density distribution of metallic beryllium. A comparative study of the maximum entropy method and the multipole refinement method. Acta Cryst. B 51, 580 (1995)
Iversen, B.B., Jensen, J.L., Danielsen, J.: Errors in maximum-entropy charge-density distributions obtained from diffraction data. Acta Cryst. A 53, 376 (1997)
Jayatilaka, D.: Wave function for beryllium from X-ray diffraction data. Phys. Rev. Lett. 80, 798 (1998)
Jayatilaka, D., Dittrich, B.: X-ray structure refinement using aspherical atomic density functions obtained from quantum-mechanical calculations. Acta Cryst. A 64, 383 (2008)
Jaynes, E.T.: Probability Theory, The Logic of Science. In: Bretthorst G.L. (ed.) Cambridge University Press, Cambridge, UK (2003)
Jeffrey, G.A., Parry, G.S., Mozzi, R.L.: Study of the Wurtzite-type binary compounds. I. Structures of aluminum nitride and beryllium oxide. J. Chem. Phys. 25, 1024 (1956)
Jiang, Y., Sun, J., Wan, L.: Geometric shielding effects of electron scattering from polyatomic molecules. Phys. Lett. A 237, 53 (1997)
Johlige, H.W., Aumann, D.C., Born, H.-J.: Determination of the relative electron density at the Be nucleus in different chemical combinations, measured as changes in the electron-capture half-life of 7Be. Phys. Rev. C 2, 1616 (1970)
Johnson, S.R.: The trouble with QSAR (or How I learned to stop worrying and embrace fallacy). J. Chem. Inf. Model. 48, 25 (2008)
Johnson, K., Nohl, C.: A simple semiclassical model for the rotational states of mesons containing massive quarks. Phys. Rev. D 19, 291 (1979)
Johnson, K., Thorn, C.B.: Stringlike solutions of the bag model. Phys. Rev. D 13, 1934 (1976)
Johnson, K., Treiman, S.B.: Implications of SU(6) symmetry for total cross sections. Phys. Rev. Lett. 14, 189 (1965)
Joshipura, K.N., Patel, P.M.: Electron impact total (elastic + inelastic) cross-sections of C, N & O atoms and their simple molecules. Z. Phys. D 29, 269 (1994)
Kant, I.: Prolegomena to Any Future Metaphysics (G. Hatfield, Trans. & Ed.). Cambridge University Press, Cambridge, UK (2004)
Kaplan, I.G.: Is the Pauli exclusive principle an independent quantum mechanical postulate? Int. J. Quantum Chem. 89, 268 (2002)
Karwasz, G.P., Brusa, R.S., Zecca A.: One century of experiments on electron-atom and molecule scattering: a critical review of integral cross-sections. II.—Polyatomic molecules. Riv. Nuovo Cimento 24(1): 1 (2001a)
Karwasz, G.P., Brusa, R.S., Zecca, A.: One century of experiments on electron-atom and molecule scattering: a critical review of integral cross-sections. III.—Hydrocarbons and halides. Riv. Nuovo Cimento 24(4), 1 (2001b)
Kebarle, P.: Ion thermochemistry and solvation from gas phase ion equilibria. Ann. Rev. Phys. Chem. 28, 445 (1977)
King, R.A. et al.: Chemistry as a function of the fine-structure constant and the electron-proton mass ratio, Phys. Rev. A 81, 042523 (2010)
Kohler, R.E. Jr.: The origin of G. N. Lewis’s theory of the shared pair bond. Hist. Stud. Phys. Sci. 3, 343 (1971)
Kolb, H.C., Finn, M.G., Sharpless, K.B.: Click chemistry: Diverse chemical function from a few good reactions. Angew. Chem. Int. Ed. Engl. 40, 2004 (2001)
Kostro, L.: Albert Einstein’s hypothetism. Sci. Edu. 7, 317 (1998)
Kraushaar, J.J., Wilson, E.D., Bainbridge, K.T.: Comparison of the values of the disintegration constant of 7Be in Be, BeO, and BeF2. Phys. Rev. 90, 610 (1953)
Kutzelnigg, W.: Perspective on "quantum mechanics of many-electron systems". Theor. Chem. Acc. 103, 182 (2000)
Lackner, K.S., Zweig, G.: Introduction to the chemistry of fractionally charged atoms. Electronegativity Phys. Rev. D 28, 1671 (1983)
Landauer, R.: Wanted: a physically possible theory of physics. IEEE Spectrum 4, 105 (1967)
Landolt-Börnstein.: Photon and Electron Interactions with Atoms, Molecules and Ions, vol. I/17 C, (Y. Itikawa, Ed.) Springer-Verlag, Berlin and Heidelberg (2003)
Langmuir, I.: The arrangement of electrons in atoms and molecules. J. Am. Chem. Soc. 41, 868 (1919)
Larsen, F.K., Hansen, N.K.: Diffraction study of the electron density distribution in beryllium metal. Acta Cryst. B 40, 169 (1984)
Latimer, R.W.M., Rodebush, W.H.: Polarity and ionization from the standpoint of the Lewis theory of valence. J. Am. Chem. Soc. 42, 1419 (1920)
Laughlin, R.B. et al.: The middle way. Proc. Natl. Acad. Sci. USA 97, 32 (2000)
Laughlin, R.B., Pines, D.: The theory of everything. Proc. Natl. Acad. Sci. USA 97, 28 (2000)
Lazaridis, T., Karplus, M.: Microscopic basis of macroscopic thermodynamics. In: Di Cera, E. (ed.) Thermodynamics in Biology, pp. 3–48. Oxford University Press, New York (2000)
Lee, P.A., Pendry, J.B.: Theory of the extended X-ray absorption fine structure. Phys. Rev. B 11, 2795 (1975)
Leggett, A.J.: The Problems of Physics. Oxford University Press, New York (2006)
Leininger, R.F., Segrè, E., Wiegard, C.: Experiments on the effect of atomic electrons on the decay constant of 7Be II. Phys. Rev. 76, 897 (1949)
Lenard, P.: Über die Absorption von Kathodenstrahlen verschidener Geschwindigkeit. Ann. Phys. (Leipzig) 12, 714 (1903)
Lesk, A.M.: The unreasonable effectiveness of mathematics in molecular biology. Math. Intell. 22, 28 (2000)
Lesk, A.M.: Compared to what? Math. Intell. 23, 4 (2001)
Lewis, G.N.: The atom and the molecule. J. Am. Chem. Soc. 38, 762 (1916)
Lewis, G.N.: Valence and Structure of Atoms and Molecules. Chemical Catalog, New York (1923)
Lewis, G.N.: The chemical bond. J. Chem. Phys. 1, 17 (1933)
Libit, L., Hoffmann, R.: Toward a detailed orbital theory of substituent effects: Charge transfer, polarization, and the methyl group. J. Am. Chem. Soc. 96, 1370 (1974)
Liegener, C., Del Re, G.: Chemistry vs. physics: the reduction myth and the unity of science. J. Gen. Philos. Sci. 18, 165 (1987)
Lipkin, H.J.: New systematics in hadron total cross section. Phys. Rev. D 11, 1827 (1975)
Lipkin, H.J., Scheck, F.: Quark model for forward scattering amplitudes. Phys. Rev. Lett. 16, 71 (1966)
Little, M.: “Better than numbers…” a gentle critique of evidence-based medicine. ANZ J. Surgery 73, 177 (2003)
Lorentz, H.A.: The Theory of Electrons. Columbia University Press, New York (1909)
Lucha, W., Schöberl, F.F., Gromes, D.: Bound states of quarks. Phys. Rep. 200, 127 (1991)
Maranganti, R., Sharma, P., Wheeler, L.: Quantum notions of stress. J. Aerosp. Eng. 20, 22 (2007) et passim
Maranganti, R., Sharma, P.: Revisiting quantum notions of stress. Proc. R. Soc. Lond. A 466, 2097 (2010) et passim
Mark, A.E., van Gunsteren, W.F.: Decomposition of the free energy of a system in terms of specific interactions. Implications for theoretical and experimental studies. J. Mol. Biol. 240, 167 (1994)
Marx, D., Hutter, J., Parrinello, M.: Density functional study of small aqueous Be2+ clusters. Chem. Phys. Lett. 241, 457 (1995)
Marx, D., Sprik, M., Parrinello, M.: Ab initio molecular dynamics of ion solvation. The case of Be2+ in water. Chem. Phys. Lett. 273, 360 (1997)
Mason, P.E. et al.: Be2+ hydration in concentrated aqueous solutions of BeCl2. J. Phys. Chem. B 112, 1935 (2008)
Mathieu, P.: New Lagrangian formalism for the bag. Phys. Rev. D 31, 2145 (1985)
McLaughlin, B.: The rise and fall of British emergentism. In: Beckerman, A., Flohr, H., Kim, J. (eds.) Emergence or Reduction? Essays on the Prospect of a Non-Reductive Physicalism, pp. 49–93. Walter de Gruyter, Berlin (1992)
McLellan, A.G.: Virial theorem generalized. Am. J. Phys. 42, 239 (1974)
Merritt, J.M., Bondybey, V.E., Heaven, M.C.: Beryllium dimer—caught in the act of bonding. Science 324, 1548 (2009)
Mezey, P.G.: The holographic electron density theorem and quantum similarity measures. Mol. Phys. 96, 169 (1999a)
Mezey, P.G.: Holographic electron density shape theorem and its role in drug design and toxicological risk assessment. J. Chem. Inf. Comput. Sci. 39, 224 (1999b)
Moffitt, W.: Atoms in molecules and crystals. Proc. R. Soc. Lond. A 210, 245 (1951)
Monson, P.A., Rigby, M., Steele, W.A.: Non-additive energy effects in molecular liquids. Mol. Phys. 49, 893 (1983)
Mulliken, R.S.: Electronic structures of polyatomic molecules and valence. Phys. Rev. 40, 55 (1932a)
Mulliken, R.S.: Electronic structures of polyatomic molecules and valence. II. General considerations. Phys. Rev. 41, 49 (1932b)
Mulliken, R.S.: Electronic structures of polyatomic molecules and valence. III. Quantum theory of the double bond. Phys. Rev. 41, 751 (1932c)
Mulliken, R.S.: Electronic structures of polyatomic molecules and valence. IV. Electronic states, quantum theory of the double bond. Phys. Rev. 43, 279 (1933a)
Mulliken, R.S.: Electronic structures of polyatomic molecules and valence. V. Molecules RX n . J. Chem. Phys. 1, 492 (1933b)
Mulliken, R.S.: A new electroaffinity scale; together with data on valence states and on valence ionization potentials and electron affinities. J. Chem. Phys. 2, 782 (1934)
Mulliken, R.S.: Electronic structures of polyatomic molecules and valence. VI. On the method of molecular orbitals. J. Chem. Phys. 3, 375 (1935a)
Mulliken, R.S.: Electronic structures of polyatomic molecules and valence. VII. Ammonia and water type molecules and their derivatives. J. Chem. Phys. 3, 506 (1935b)
Mulliken, R.S.: Electronic structures of polyatomic molecules and valence. VIII. Ionization potentials. J. Chem. Phys. 3, 514 (1935c)
Mulliken, R.S.: Electronic structures of polyatomic molecules and valence. IX. Methane, ethane, ethylene, acetylene. J. Chem. Phys. 3, 517 (1935d)
Mulliken, R.S.: Electronic structures of polyatomic molecules and valence. X. Aldehydes, ketones and related molecules. J. Chem. Phys. 3, 564 (1935e)
Mulliken, R.S.: Electronic structures of polyatomic molecules and valence. XI. Electroaffinity, molecular orbitals and dipole moments. J. Chem. Phys. 3, 573 (1935f)
Mulliken, R.S.: Electronic structures of polyatomic molecules and valence. XII. Electroaffinity and molecular orbitals, polyatomic applications. J. Chem. Phys. 3, 586 (1935g)
Mulliken, R.S.: Electronic structures of polyatomic molecules and valence. XIII. Diborane and related molecules. J. Chem. Phys. 3, 635 (1935h)
Mulliken, R.S.: Electronic structures of polyatomic molecules and valence. XIV. Linear triatomic molecules, especially carbon dioxide. J. Chem. Phys. 3, 720 (1935i)
Mulliken, R.S.: The low electronic states of simple heteropolar diatomic molecules. I. General survey. Phys. Rev. 50, 1017 (1936a)
Mulliken, R.S.: The low electronic states of simple heteropolar diatomic molecules. II. Alkali metal hydrides. Phys. Rev. 50, 1028 (1936b)
Mulliken, R.S.: The low electronic states of simple heteropolar diatomic molecules. III. Hydrogen and univalent metal halides. Phys. Rev. 51, 310 (1937)
Mulliken, R.S.: The Rydberg states of molecules. Parts I–V. J. Am. Chem. Soc. 86, 3183 (1964)
Mulliken, R.S.: The Rydberg states of molecules. VI. Potential curves and dissociation behavior of (Rydberg and other) diatomic states. J. Am. Chem. Soc. 88, 1849 (1966)
Murdoch, A.I.: A critique of atomistic definitions of the stress tensor. J. Elast. 88, 113 (2007)
Murdoch, A.I.: On molecular modelling and continuum concepts. J. Elast. 100, 33 (2010) et passim
Myhrer, F., Thomas, A.W.: Understanding the proton’s spin structure. J. Phys. G 37, 023101 (2010)
Neuefeind, J. et al.: Experimental determination of the electron density of liquid H2O and D2O, J. Phys.: Condens. Matter 14, L429 (2002) et passim
Ninham, B.W.: On progress in forces since the DLVO theory. Adv. Colloid Interface Sci. 83, 1 (1999)
Noll, W.: Die Herleitung der Grundgleichungen der Thermomechanik der Kontinua aus der statistischen Mechanik. J. Rat. Mech. Anal. 4, 627 (1955)
Noll, W.: There is an English translation in R.B. Lehoucq and A. Von Lilienfeld-Toal, Translation of Walter Noll’s “Derivation of the fundamental equations of continuum thermodynamics from statistical mechanics”. J. Elast. 100, 5 (2010)
Norton, P.R.: The EMC effect. Rep. Prog. Phys. 66, 1253 (2003) et passim
Nugent, K.W. et al.: A precise low-temperature crystal structure of BeCp2. Aust. J. Chem. 37, 1601 (1984)
Nye, M.J.: From Chemical Philosophy to Theoretical Chemistry, Dynamics of Matter and Dynamics of Discipline 1800–1950. University of California Press, Berkeley and Los Angeles (1993)
Nye, M.J.: A place in history: Was Linus Pauling a revolutionary chemist? Bull. Hist. Chem. 25, 73 (2000)
Nye, M.J.: Philosopher-scientists at the interface of physics and chemistry: Paneth and Polanyi on chemistry as an exact science. In: Bertomeu-Sánchez, J.R., Burns, D.T., Van Tiggelen, B. (eds.) Proceedings of 6th International Conference on Histogram Chemistry. Mémosciences, Louvain-la-Neuve, Belgium, pp. 1630–172 (2008)
Odagaki, Y., Dasgupta, S., Fuxe, K.: Additivity and non-additivity between dopamine-, norepinephrine-, carbachol- and GABA-stimulated GTPase activity. Eur. J. Pharm. 291, 245 (1995)
Ohtsuki, T., Hirose, K., Ohno, K.: Electron-capture decay rate of 7Be encapsulated in C60 cages, J. Nucl. Radiochem. Sci. 8, A1 (2007)
Pais, A.: Max Born’s statistical interpretation of quantum mechanics. Science 218, 1193 (1982)
Parr, R.G., Yang, W.: Density-Functional Theory of Atoms and Molecules. Clarendon Press, Oxford (1989)
Patel, P.M., Joshipura, K.N.: Differential and integral cross-sections of e − O2, O3, NO, CO scattering at energies 100–1000 eV. Pramana. J. Phys. 61, 685 (2003)
Patkowski, K., S̃pirko, V., Szalewicz, K.: On the elusive twelfth vibrational state of beryllium dimer. Science 326, 1382 (2009)
Pauli, W.: Über den Einfluß der Geschwindigkeitsabhängigkoit der Elektronenmasse auf den Zeemaneffekt. Z. Phys. 31, 373 (1925a)
Pauli, W.: Über den Zusammenhang des Abschlusses der Elektronengruppen im Atom mit der Komplexstruktur der Spektren. Z. Phys. 31, 765 (1925b)
Pauli, W.: Remarks on the history of the exclusion principle. Science 103, 213 (1946)
Pauling, L.: The shared-electron chemical bond. Proc. Natl. Acad. Sci. USA 14, 359 (1928)
Pauling, L.: The nature of the chemical bond. Application of results obtained from the quantum mechanics and from a theory of paramagnetic susceptibility to the structure of molecules. J. Am. Chem. Soc. 53, 1367 (1931)
Pauling, L.: The nature of the chemical bond. III. The transition from one extreme bond type to another. J. Am. Chem. Soc. 54, 988 (1932a)
Pauling, L.: The nature of the chemical bond. IV. The energy of single bonds and the relative electronegativity of atoms. J. Am. Chem. Soc. 54, 3570 (1932b)
Pauling, L.: The structure and entropy of ice and of other crystals with some randomness of atomic arrangement. J. Am. Chem. Soc. 57, 2680 (1935)
Pauling, L.: Quantum theory and chemistry. In: Frank, W. (ed.) Max Planck Festschrift, pp. 385–388. Deutscher Verlag der Wissenschaften, Berlin (1959)
Pauling, L.: The Nature of the Chemical Bond and the Structure of Molecules and Crystals, An Introduction to Modern Structural Chemistry, 3rd ed. Cornell University Press, Ithaca (1960)
Pauling, L., Sherman, J.: The structure of the carboxyl group. II. The crystal structure of basic beryllium acetate. Proc. Natl. Acad. Sci. USA 20, 340 (1934)
Pauling, L., Wilson, E.B. Jr.: Introduction to Quantum Mechanics, With Applications to Chemistry. McGraw-Hill, New York (1935)
Pauling, L., Yost, D.M.: The additivity of the energies of normal covalent bonds. Proc. Natl. Acad. Sci. USA 18, 414 (1932)
Peak, D. et al.: Evidence for complex, collective dynamics and emergent, distributed computation in plants. Proc. Natl. Acad. Sci. USA 101, 918 (2004)
Perl, M.L., Lee, E.R., Loomba, D.: Searches for fractionally charged particles. Ann. Rev. Nucl. Part. Sci. 59, 47 (2009)
Peters, N.: Flame calculations with reduced mechanisms—an outline. Lect. Notes Phys. m 15, 3 (1993)
Phillips, P.C.: Dielectric definition of electronegativity. Phys. Rev. Lett. 20, 550 (1968)
Pittet, P.-A. et al.: Tetrasolventoberyllium(II): High-pressure evidence for a sterically controlled solvent-exchange-mechanism crossover. Inorg. Chem. 29, 1936 (1990)
Pitzer, K.S.: Intermolecular and intramolecular forces and molecular polarizability. Adv. Chem. Phys. 2, 59 (1959)
Platts, J.A. et al.: First experimental characterization of a non-nuclear attractor in a dimeric magnesium(I) compound. J. Phys. Chem. A 115, 194 (2011)
Podgornik, R., French, R.H., Parsegian, V.A.: Nonadditivity in van der Waals interactions within multilayers. J. Chem. Phys. 124, 044709 (2006)
Polanyi, M.: Life’s irreducible structure. Science 160, 1308 (1968)
Pólya, G.: Kombinatorische Anzahlbestimmungen für Gruppen, Graphen und chemische Verbindungen. Acta Math. 68, 145 (1937)
Pólya, G., Read, R.C.: Combinatorial Enumeration of Groups, Graphs, and Chemical Compounds. Springer, New York (1987)
Preuss, W.: Calculation of adiabatic energy surfaces for molecules using the method of atomic associations. Rev. Mod. Phys. 35, 646 (1963)
Primas, H.: Chemistry, Quantum Mechanics, and Reductionism, 2nd ed. Springer, New York (1983)
Primas, H.: Can we reduce chemistry to physics? In: Radnitzky, G. (ed.) Centripetal Forces in the Sciences, vol. 2, pp. 119–133. Paragon House Publishers, New York (1988)
Primas, H.: Emergence in exact natural sciences. Acta Polytech. Scand. Ma 91, 83 (1998)
Probst, M.M., Spohr, E., Heinzinger, K.: On the hydration of the beryllium ion. Chem. Phys. Lett. 161, 405 (1989)
Probst, M.M., Spohr, E., Heinzinger, K.: A molecular dynamics simulation of an aqueous beryllium chloride solution. Mol. Sim. 7, 43 (1991)
Quigg, C., Rosner, J.L.: Quantum mechanics with applications to quarkonium. Phys. Rep. 56, 167 (1979)
Quinkert, G. et al.: Chemistry and biology—historical and philosophical aspects. In: Schreiber, S.L., Kapoor, T.M., Wess, G. (eds.) Chemical Biology, From Small Molecules to System Biology and Drug Design, pp. 3–67. Wiley-VCH, Weinheim (2007)
Raj, D.: A note on the use of the additivity rule for electron—molecule elastic scattering. Phys. Lett. A 160, 571 (1991)
Raj, D.: Total cross sections for positron scattering by molecules. Phys. Lett. A 174, 304 (1993)
Ray, S.G., Daube, S.S., Naaman, R.: On the capturing of low-energy electrons by DNA. Proc. Natl. Acad. Sci. USA 102, 15 (2005)
Rayón, V.M., Frenking, G.: Structures, bond energies, heats of formation, and quantitative bonding analysis of main-group metallocenes E(Cp)2. (E=Be–Ba, Zn, Si–Pb) and E(Cp). (E=Li–Cs, B–Tl). Chem. Eur. J. 8, 4693 (2002)
Riess, J., Münch, W.: The theorem of Hohenberg and Kohn for subdomains of a quantum system. Theor. Chim. Acta 58, 295 (1981)
Rocke, A.J.: Kekulé, Butlerov, and the historiography of the theory of chemical structure. Brit. J. Hist. Sci. 14, 27 (1981)
Ross, M.: Evidence for nonadditivity of nucleon moments in heavy nuclei. Phys. Rev. 88 (1952)
Ross, J., Schreiber, I., Vlad, M.O.: Determination of Complex Reaction Mechanisms, Analysis of Chemical, Biological, and Genetic Networks. Oxford University Press, New York (2006)
Rudolph, W.W. et al.: Hydration of beryllium(II) in aqueous solutions of common inorganic salts. A combined vibrational spectroscopic and ab initio molecular orbital study. Dalton Trans. 6513 (2009)
Russell, C.A.: The History of Valency. Leicester University Press, Leicester, UK (1971)
Rutherford, E., Chadwick, J., Ellis, C.D.: Radiations from Radioactive Substances, p. 8. Cambridge University Press, London (1930)
Sachs, R.G., Ross, M.: Evidence for non-additivity of nucleon moments. Phys. Rev. 84, 379 (1951)
Sanche, L.: Low energy electron-driven damage in biomolecules, Eur. Phys. J. D 35, 367 (2005) et passim
Sarukkai, S.: Revisiting the ‘unreasonable effectiveness’ of mathematics. Curr. Sci. 88, 415 (2005)
Scarani, V. et al.: Quantum cloning, Rev. Mod. Phys. 77, 1225 (2005) et passim
Scerri, E.: Reduction and emergence in chemistry. Phil. Sci. 74, 920 (2007)
Schrödinger, E.: Discussion of probability relations between separated systems. Proc. Camb. Phil. Soc. 31, 555 (1935)
Schrödinger, E.: The present situation in quantum mechanics. In: Wheeler, J.A., Zurek, W.H. (eds.) Quantum Theory and Measurement, pp. 152–167. Princeton University Press, Princeton, NJ (1983)
Schummer, J.: The philosophy of chemistry. Endeavour 27, 37 (2003)
Schwartz, J.: The pernicious influence of mathematics on science. In: Nagel, E., Suppes, P., Tarski, A. (eds.) Logic, Methodology and Philosophy of Science, pp. 356–360. Stanford University Press, Stanford (1962)
Schwinger, J.: The theory of quantized fields. I.. Phys. Rev. 82, 914 (1951)
Schwinger, J.: The theory of quantized fields. II. Phys. Rev. 91, 713 (1953)
Schwinger, J.: Gauge invariance and mass. Phys. Rev. 128, 2425 (1962)
Seely, J. et al. [JLab Collaboration]: New measurements of the European Muon collaboration effect in very light nuclei. Phys. Rev. Lett. 103, 202301 (2009)
Segrè, E.: Possibility of altering the decay rate of a radioactive substance. Phys. Rev. 71, 274 (1947)
Segrè, E., Wiegard, C.: Experiments on the effect of atomic electrons on the decay constant of 7Be. Phys. Rev. 75, 39 (1949)
Shaik, S., Hiberty, P.C.: A Chemist’s Guide to Valence Bond Theory. Wiley, Hoboken, NJ (2008)
Shannon, R.D.: Dielectric polarizabilities of ions in oxides and fluorides. J. Appl. Phys. 73, 348 (1993)
Shi, D.-H. et al.: Additivity rule for electron-molecule total cross section calculations at 50–5,000 eV: a new geometrical approach. Chin. Phys. B 17, 2103 (2008)
Silberstein, L.: Molecular refractivity and atomic interaction. Phil. Mag. 33, 92 (1917a)
Silberstein, L.: Molecular refractivity and atomic interaction II. Phil. Mag. 33, 215 (1917b)
Silberstein, L.: Dispersion and the size of molecules of hydrogen, oxygen, and nitrogen. Phil. Mag. 33, 521 (1917c)
Silvestrelli, P.L., Parrinello, M.: Water molecule dipole in the gas and in the liquid phase. Phys. Rev. Lett. 82, 3308 (1999a)
Silvestrelli, P.L., Parrinello, M.: Structural, electronic, and bonding properties of liquid water from first principles. J. Chem. Phys. 111, 3572 (1999b)
Simons, J.: How very low-energy (0.1–2 eV) electrons cause DNA strand breaks. Adv. Quantum Chem. 52, 171 (2007)
Slater, J.C.: Directed valence in polyatomic molecules. Phys. Rev. 37, 481 (1931a)
Slater, J.C.: Molecular energy levels and valence bonds. Phys. Rev. 38, 1109 (1931b)
Smirnov, P.R., Trostin, V.N.: Structural parameters of hydration of Be2+ and Mg2+ ions in aqueous solutions of their salts. Rus. J. Gen. Chem. 78, 1643 (2008) et passim
Smith, D.A. (ed.): Modeling the Hydrogen Bond: Symposium, vol. 569. American Chemical Society, Washington, DC (1994)
Steiner, M.: The Applicability of Mathematics as a Philosophical Problem. Harvard University Press, Cambridge, MA (1998)
Stranges, A.N.: Electrons and Valence, Development of the Theory, 1900–1925. Texas A & M University Press, College Station (1982)
Sun, J., Jiang, Y., Wan, L.: Total cross sections for electron scattering by molecules. Phys. Lett. A 195, 81 (1994)
Sutcliffe, B.T., Woolley, R.G.: Molecular structure calculations without clamping the nuclei. Phys. Chem. Chem. Phys . 7, 3664 (2005) et passim
Sylvester, J.J.: On an application of the new atomic theory to the graphical representation of the invariants and covariants of binary quantics,—with three appendices. Am. J. Math. 1, 64 (1878)
Symanzik, K.: Infrared singularities and small-distance-behaviour analysis. Commun. Math. Phys. 34, 7 (1973)
Thoma, M.H., Nolte, E.: Limits on small violations of the Pauli exclusion principle in the primordial nucleosynthesis. Phys. Lett. B 291, 484 (1992)
Thomas, G.F.: On the global variance in the 1-reduced local energy matrix for closed shell fermion systems. Phys. Lett A 94, 265 (1983)
Thomas, G.F.: On the minimization of the global variance in the 1-reduced local-energy matrix. Int. J. Quantum Chem. 29, 867 (1986)
Thomas, G.F., Barber, D.H.: Stiffness in radioactive decay chains. Ann. Nucl. Energy 21, 309 (1994)
Thomson, J.J.: Some further applications of the method of positive rays. Phil. Mag. 23, 449 (1912)
Tielrooij, K.J. et al.: Cooperativity in ion hydration. Science 328, 1006 (2010) et passim
Tukey, J.W.: One degree of freedom for non-additivity, Biometrics 5, 232 (1949)
Tukey, J.W.: Discussion of ‘the role of statistical graduate training’. In: Rustagi, J.S., Wolfe, D.A. (eds.) Teaching of Statistics and Statistical Consulting, pp. 379–389. Academic Press, New York (1982)
Tulinsky, A., Worthington, C.R.: Basic beryllium acetate. Part II. The structure analysis. Acta Cryst. 12, 626 (1959)
van Brakel, J.: Philosophy of Chemistry. Leuven University Press, Leuven (2000)
Van Vechten, J.A.: Quantum dielectric theory of electronegativity in covalent systems. I. Electronic dielectric constant. Phys. Rev. 182, 891 (1969a)
Van Vechten, J.A.: Quantum dielectric theory of electronegativity in covalent systems. II. Ionization potentials and interband transition energies. Phys. Rev. 187, 1007 (1969b)
Vitorge, P., Masella, M.: A theoretical study of [Be,(H2O) n ]2+: [BeOH,(H2O) n-1]+ and [Be(OH)2,(H2O) n-2] aggregates (n = 1–6). Incidence of the first hydration shells on the hydrolysis reactions of Be2+ and BeOH+ systems. Chem. Phys. Lett. 332, 367 (2000)
von Nieseen, W.: A theory of molecules in molecules. I.. J. Chem. Phys. 55, 1948 (1971)
von Sonntag, C.: Free-Radical-Induced DNA Damage and Its Repair. A Chemical Perspective. Springer, Berlin (2006)
von Weizsäcker, C.F.: Zur Theorie der Kernmassen. Z. Phys. 96, 431 (1935)
Voytek, S.B., Joyce, G.F.: Niche partitioning in the coevolution of 2 distinct RNA enzymes. Proc. Natl. Acad. Sci. USA 106, 7780 (2009)
Weinberg, S.: Effective gauge theories. Phys. Lett. B 91, 51 (1980)
Weinberg, S.: The Quantum Theory of Fields, Vol. 1, Foundations. Cambridge University Press, New York (1995)
Weinberg, S.: The Quantum Theory of Fields, vol. 2, Modern Applications. Cambridge University Press, New York (1996)
Weinstein, H., Pauncz, R., Cohen, M.: Localized molecular orbitals. Adv. At. Mol. Phys. 7, 97 (1971)
Wigner, E.P.: The limits of science. Proc. Am. Phil. Soc. 94, 422 (1950)
Wigner, E.: The unreasonable effectiveness of mathematics in the natural sciences. Commun. Pure Appl. Math. 13, 1 (1960)
Wigner, E.P.: The probability of the existence of a self-reproducing unit. In: The Logic of Personal Knowledge, Essays Presented to Michael Polanyi on his Seventieth Birthday, pp. 231–238. Routledge & Kegan Paul, London (1961)
Wilkinson, D.H.: Future prospects in the QCD era. For how long will the shell model last? Nucl. Phys. A 507, 281 (1990)
Wootters, W.K., Zurek, W.H.: A single quantum cannot be cloned. Nature 299, 802 (1982)
Yamaguchi, T. et al.: Molecular dynamics and X-ray diffraction study of aqueous beryllium(II) chloride solutions. Z. Naturforsch. A 41, 1175 (1986)
Zecca, A. et al.: Additivity rule for electron-molecule cross section calculation: a geometrical approach. Phys. Lett. A 257, 75 (1999)
Zecca, A., Karwasz, G.P., Brusa, R.S.: One century of experiments on electron-atom and molecule scattering: a critical review of integral cross-sections. I.—Atoms and diatomic molecules. Riv. Nuovo Cimento 19, 1 (1996)
Zewail, A.H.: Femtochemistry—Ultrafast Dynamics of the Chemical Bond. WSP, Singapore (1994)
Author information
Authors and Affiliations
Corresponding author
Additional information
It is a pleasure to dedicate this paper to Professor Stuart M. Rothstein on the occasion of his upcoming retirement from active teaching at Brock University.
Rights and permissions
About this article
Cite this article
Thomas, G.F. The emancipation of chemistry. Found Chem 14, 109–155 (2012). https://doi.org/10.1007/s10698-011-9118-9
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s10698-011-9118-9