scholarly journals Energy partitioning on intermolecular interactions: ab initio Monte Carlo study of water dimer

2007 ◽  
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Ab Initio ◽  
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Energy Partitioning ◽  
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Vol 2 (6) ◽  
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Tanja van Mourik ◽  
David M. Benoit ◽  
Sarah L. Price ◽  
David C. Clary
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Diffusion Monte Carlo ◽  
And Diffusion

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1998 ◽  
Vol 110 ◽  
pp. 379 ◽  
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William L. Jorgensen
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scholarly journals Quantum Monte Carlo Study of the Protonated Water Dimer

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Vol 10 (5) ◽  
pp. 1980-1993 ◽  
Author(s):  
Mario Dagrada ◽  
Michele Casula ◽  
Antonino M. Saitta ◽  
Sandro Sorella ◽  
Francesco Mauri
Keyword(s):  
Monte Carlo ◽  
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scholarly journals Grown-in beryllium diffusion in indium gallium arsenide: An ab initio, continuum theory and kinetic Monte Carlo study

2017 ◽  
Vol 125 ◽  
pp. 455-464 ◽  
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Mahasin Alam Sk ◽  
Sergei Manzhos ◽  
Ignacio Martin-Bragado ◽  
Francis Benistant ◽  
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Gallium Arsenide ◽  
Monte Carlo ◽  
Ab Initio ◽  
Indium Gallium Arsenide ◽  
Kinetic Monte Carlo ◽  
Continuum Theory ◽  
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Crossover of cation partitioning in olivines: a combination of ab initio and Monte Carlo study

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pp. 259-265 ◽  
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Sirshendu Bhattacharyya ◽  
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