Compassionate
发表于 2025-3-23 09:58:34
Leszek Konieczny,Irena Roterman-Konieczna,Paweł Spólnik both the exchange repulsion between solute and solvent and the packing effects an environment has on a molecule, in particular on diffuse states of the molecule. The statistical mechanical problem is solved with an exact Metropolis–Monte Carlo simulation that requires several similar quantum chemic
affluent
发表于 2025-3-23 15:28:48
e quantum-mechanical (QM) or the molecular mechanics (MM) level, without significant loss of accuracy. This allows for performing fully MM molecular simulations (Monte Carlo, molecular dynamics), which can subsequently be followed by performing QM/MM calculations on a selected number of representati
杀死
发表于 2025-3-23 19:27:49
978-3-319-34588-8Springer Science+Business Media Dordrecht 2014
无辜
发表于 2025-3-24 00:10:11
Leszek Konieczny,Irena Roterman-Konieczna,Paweł SpThe book provides a framework for developing a greater understanding of this exciting and new area of research.This book will help to enable the reader to develop an understanding of genetic and chemi
sperse
发表于 2025-3-24 04:30:01
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ADORN
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泥沼
发表于 2025-3-24 13:50:31
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Harbor
发表于 2025-3-24 18:39:55
Leszek Konieczny,Irena Roterman-Konieczna,Paweł Spólnik of molecular reactions inside the condensed phase as emphasized in the introduction chapter. The reaction process is described by a multi-state equation as given by Eq. 1.71. In the special limit ., the multi-state equation reduces to an effective single-state description. And so far, the literatur
出生
发表于 2025-3-24 19:41:01
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Oration
发表于 2025-3-25 00:56:03
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