JCC
2007
13 years 11 months ago
2007
: A recent workshop titled ‘‘Quantitative Computational Biophysics’’ at Florida State University provided an overview of the state of the art in quantitative modeling of bi...
JCC
2007
13 years 11 months ago
2007
Abstract: The physical interactions among electrons and nuclei, responsible for the chemistry of atoms and molecules, is well described by quantum mechanics and chemistry is theref...
JCC
2007
13 years 11 months ago
2007
JCC
2007
13 years 11 months ago
2007
JCC
2007
13 years 11 months ago
2007
: We summarize our contributions on the quest of new planar tetracoordinate carbon entities (new carbon molecules with exotic chemical structures and strange bonding schemes). We g...
JCC
2007
13 years 11 months ago
2007
Abstract: Starting from the 1980s and onwards, Valence Bond theory has been enjoying renaissance that is characterized by the development of a growing number of ab initio methods, ...
JCC
2007
13 years 11 months ago
2007
: This paper first comments on the surprisingly poor status that Quantum Chemistry has offered to the fantastic intuition of Lewis concerning the distribution of the electrons in ...
JCC
2007
13 years 11 months ago
2007
JCC
2007
13 years 11 months ago
2007
Abstract: A new parallel algorithm has been developed for calculating the analytic energy derivatives of full accuracy second order Møller-Plesset perturbation theory (MP2). Its m...
JCC
2007
13 years 11 months ago
2007
: In this paper, I will look at the rather convoluted discovery process which gave birth to the concept of the shared electron pair bond as developed by G.N. Lewis, to be subsequen...