Solvent effects on the absorption spectrum and first hyperpolarizability of keto-enol tautomeric forms of anil derivatives: A Monte Carlo/quantum mechanics study

2016 ◽  
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L. Adriano Junior ◽  
T. L. Fonseca ◽  
M. A. Castro
Keyword(s):  
Monte Carlo ◽  
Absorption Spectrum ◽  
Quantum Mechanics ◽  
Solvent Effects ◽  
First Hyperpolarizability ◽  
Tautomeric Forms

Solvent Effects on Global Reactivity Properties for Neutral and Charged Systems Using the Sequential Monte Carlo Quantum Mechanics Model

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Patricia Pérez ◽  
Patricio Fuentealba ◽  
Sylvio Canuto ◽  
Kaline Coutinho
Keyword(s):  
Monte Carlo ◽  
Quantum Mechanics ◽  
Solvent Effects ◽  
Sequential Monte Carlo ◽  
Mechanics Model

Monte Carlo Investigations of Solvent Effects on the Chorismate to Prephenate Rearrangement

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William L. Jorgensen
Keyword(s):  
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Solvent Effects

Monte-carlo calculations for some problems of quantum mechanics

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Vol 75 (9) ◽  
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A. A. Novoselov ◽  
O. V. Pavlovsky ◽  
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Monte Carlo ◽  
Quantum Mechanics ◽  
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Vol 12 (3) ◽  
pp. S59-S71 ◽  
Author(s):  
Guoqiang Xu ◽  
Sagar S Rane ◽  
Carin A Helfer ◽  
Wayne L Mattice ◽  
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Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Ethylene Oxide ◽  
Solvent Effects ◽  
Poly Ethylene Oxide ◽  
Poly Ethylene
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