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JCC
2007
14 years 9 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...
JCC
2007
14 years 9 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
14 years 9 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...
85
Voted
CG
2005
Springer
14 years 9 months ago
2005
Springer
This paper studies how Computer Graphics is taught and proposes a course on 2D Computer Graphics and Image Processing as an alternative to the traditional 3D Computer Graphics cou...
64
Voted
JNS
2007
14 years 9 months ago
2007
The Ohta-Kawasaki density functional theory of diblock copolymers gives rise to a nonlocal free boundary problem. Under a proper condition between the block composition fraction a...