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JCC
2006
110views more  JCC 2006»
13 years 4 months ago
Using internal and collective variables in Monte Carlo simulations of nucleic acid structures: Chain breakage/closure algorithm
: This article describes a method for solving the geometric closure problem for simplified models of nucleic acid structures by using the constant bond lengths approximation. The r...
Heinz Sklenar, Daniel Wüstner, Remo Rohs
JCC
2007
162views more  JCC 2007»
13 years 4 months ago
Bond electron pair: Its relevance and analysis from the quantum chemistry point of view
: 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 ...
Jean-Paul Malrieu, Nathalie Guihéry, Carmen...
JCC
2007
88views more  JCC 2007»
13 years 4 months ago
Recent advances in planar tetracoordinate carbon chemistry
: 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...
Gabriel Merino, Miguel A. Méndez-Rojas, Alb...