273 search results - page 41 / 55 » On periodicity of two-dimensional words |
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JUCS
2006
14 years 11 months ago
2006
Abstract: Pseudorandom number generators are widely used in the area of simulation. Defective generators are still widely used in standard library programs, although better pseudor...
JCC
2007
14 years 11 months ago
2007
: An improvement to the grid-based algorithm of Henkelman et al. for the calculation of Bader volumes is suggested, which more accurately calculates atomic properties as predicted ...
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JCC
2007
14 years 11 months 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
14 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...
JCC
2007
14 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...