In this pedagogical communication after demonstrating the legitimacy for using the quantum theory of atoms in molecules (QTAIM) to non-Coulombic systems, Hookean H2 +/H3 2+ species are used for AIM analysis. In these systems, in contrast to their Coulombic counterparts, electron density is atom-like and instead of expected two/three topological atoms, just a single topological atom emerges. This observation is used to demonstrate that what is really “seen” by the topological analysis of electron densities is the clustering of electrons. The (...) very trait of monotonic decay of electron density around the “centers” of clustering guarantees the appearance of topological atoms as basin of attraction of the gradient vector field of the electron density. Although observations with Hookean molecules may seem disappointing at first glance, a careful reasoning points to the fact that the QTAIM methodology is extendable to novel domains, by a knowledge of the morphology of underlying densities, beyond the typical Coulombic systems. (shrink)

Recently, the author of this paper and his research team have extended the orthodox quantum theory of atoms in molecules (QTAIM) to a novel paradigm called the two-component QTAIM (TC-QTAIM). This extended framework enables one to incorporate nuclear dynamics into the AIM analysis as well as performing AIM analysis of the exotic species; positronic and muonic species are a few examples. In present paper, this framework has been reviewed, providing some computational examples with particular emphasis on origins and applications, in (...) a non-technical language. The main questions, enigmas and basic ideas that finally yielded the TC-QTAIM are considered in chronological order to help the reader comprehend the intuition behind the math. Finally, it is demonstrated that the TC-QTAIM and its more refined versions are able to tackle problems inaccessible to the orthodox QTAIM. (shrink)

In this paper, aspects of observable and non-observable based models are discussed. A survey of recent literature was done to show how using non-observable-based language carelessly may cause disagreement, even in professional research programs and incorrect assertions, even in prestigious journals. The relation between physical measurements and observables is discussed and it is shown that, in contrast to general belief, this relation may be complicated and not always straightforward. The decomposition of the system into basic subsystems (physical or conceptual) is (...) traced as the origin of non-observable-based languages. The possibility of defining new quantum mechanical observables for open quantum subsystems and of replacing them with non-observable-based concepts has been mentioned and the AIM theory is explained as an example. An account of some current non-observable-based models for molecular geometry is discussed and it is shown that not all non-observable-based languages possess the same effectiveness. In the end, the need to develop a clear chemical language is stressed. (shrink)

To be, or not to be, that is the question…In his wonderful Facts and Mysteries, Martinus Veltman terminates a section with an anecdote: “When quarks were not immediately discovered after the introduction by Gell-Mann he took to calling them symbolic, saying they were indices. In the early seventies I met him at CERN and he again said something in that spirit. I then jumped up, coming down with some impact that made the floor tremble, and asked him: Do I look (...) like a heap of indices? This visibly rattled him, and indeed after that he no more advocated this vision, at least not as far as I know” (see page 240 in Veltman 2003). Although it is probable that Murray Gell-Mann, the inventor of quarks, has changed his mind regarding the reality of his symbols after this tough conversation, even later in the start of eighties the reality of quarks, as basic constituents of protons and neutrons, was a matter of disputes and exchanges (Shrader-Frechette 1982a, b; Albright 1982; Gruender 1982). A g. (shrink)

In this paper I briefly reply to Shant Shahbazian’s comments on my paper “Austere quantum mechanics as a reductive basis for chemistry” and argue that quantum theory of atoms in molecules can be characterised as a research programme in the theories of chemistry. I also explore the areas in which Shahbazian and me agree and disagree.

This is the first book-length project to examine the relationship between blackness, queerness, and hip hop. Using aesthetics as its organizing lens, Hip Hop Heresies attends to the ways that hip hop cultural production in New York City from the 1970s through the first fifteen years of the 21st century produced hip hop cultural products (film, visual art, and music) that offer "queer articulations" of race, gender, and sexuality that are contrary to hegemonic ideas and representations of those categories in (...) hip hop production, as well as in writing about hip hop culture. (shrink)

Although previous studies have acknowledged that leaders’ such environmental behaviors and environmental issues are becoming critical for long-term development, little research has focused on why, how and when perceived environmentally specific servant leadership contributes to employees’ workplace environmentally friendly behavior in the hotel industry. This paper aims to fill this research gap by using social identity theory to test employees’ green role identity as a mediator and their perceived corporate environmental responsibility and perceived coworkers’ work group green advocacy as moderators (...) in the relationship between perceived environmentally-specific servant leadership and workplace environmentally friendly behavior. Using a sample of 527 leader-follower dyads from six hotels in mainland China at two points in time, we found that employees’ green role identity mediates the positive relationship between perceived environmentally specific servant leadership and employees’ workplace environmentally friendly behavior. Moreover, employees’ perceived corporate environmental responsibility and perceived coworkers’ work group green advocacy were found to positively moderate the relationship between perceived environmentally-specific servant leadership and green role identity and between green role identity and workplace environmentally friendly behavior, respectively. Theoretical and practical implications are discussed. (shrink)