1341 search results - page 110 / 269 » Periods in Extensions of Words |
88
Voted
JCC
2007
15 years 21 days ago
2007
: Proteins are flexible systems and commonly populate several functionally important states. To understand protein function, these states and their energies have to be identified...
JCC
2007
15 years 21 days 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...
101
Voted
JCC
2007
15 years 21 days 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...
113
click to vote
JCC
2007
15 years 21 days 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, ...
107
Voted
JCC
2007
15 years 21 days 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...