Monte Carlo study of free energy of hydration for Li+, Na+, K+, F−, and Cl− with ab initio potentials

1988 ◽  
Vol 88 (12) ◽  
pp. 7766-7771 ◽  
Author(s):  
M. Migliore ◽  
G. Corongiu ◽  
E. Clementi ◽  
G. C. Lie
Keyword(s):  
Monte Carlo ◽  
Free Energy ◽  
Ab Initio ◽  
Monte Carlo Study ◽  
Energy Of Hydration ◽  
Ab Initio Potentials ◽  
Free Energy Of Hydration

Ab initio and diffusion Monte Carlo study of uracil–water, thymine–water, cytosine–water, and cytosine–(water)2

2000 ◽  
Vol 2 (6) ◽  
pp. 1281-1290 ◽  
Author(s):  
Tanja van Mourik ◽  
David M. Benoit ◽  
Sarah L. Price ◽  
David C. Clary
Keyword(s):  
Monte Carlo ◽  
Ab Initio ◽  
Monte Carlo Study ◽  
Diffusion Monte Carlo ◽  
And Diffusion

Ab initio and Monte Carlo study of solvent eÜects on a 1,3–dipolar cycloaddition

1998 ◽  
Vol 110 ◽  
pp. 379 ◽  
Author(s):  
Matthew P. Repasky ◽  
William L. Jorgensen
Keyword(s):  
Monte Carlo ◽  
Ab Initio ◽  
Monte Carlo Study ◽  
Dipolar Cycloaddition

scholarly journals Free energy determination of phase coexistence in model C60: A comprehensive Monte Carlo study

2003 ◽  
Vol 118 (1) ◽  
pp. 304-310 ◽  
Author(s):  
D. Costa ◽  
G. Pellicane ◽  
M. C. Abramo ◽  
C. Caccamo
Keyword(s):  
Monte Carlo ◽  
Free Energy ◽  
Monte Carlo Study ◽  
Phase Coexistence ◽  
Energy Determination

ChemInform Abstract: Development of Three-Dimensional Descriptors Represented by Tensors: Free Energy of Hydration Density Tensor.

ChemInform ◽  
2010 ◽  
Vol 30 (32) ◽  
pp. no-no
Author(s):  
Su Hwan Son ◽  
Cheol Kyu Han ◽  
Soon Kil Ahn ◽  
Jeong Hyeok Yoon ◽  
Kyoung Tai No
Keyword(s):  
Free Energy ◽  
Three Dimensional ◽  
Density Tensor ◽  
Energy Of Hydration ◽  
Free Energy Of Hydration
Sign in / Sign up

Export Citation Format

Share Document