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

1996 ◽  
Vol 118 (35) ◽  
pp. 8475-8484 ◽  
Author(s):  
Heather A. Carlson ◽  
William L. Jorgensen
Keyword(s):  
Monte Carlo ◽  
Solvent Effects

Monte Carlo simulation of solvent effects on the threading of poly(ethylene oxide)

2004 ◽  
Vol 12 (3) ◽  
pp. S59-S71 ◽  
Author(s):  
Guoqiang Xu ◽  
Sagar S Rane ◽  
Carin A Helfer ◽  
Wayne L Mattice ◽  
Coleen Pugh
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Ethylene Oxide ◽  
Solvent Effects ◽  
Poly Ethylene Oxide ◽  
Poly Ethylene

Strong enhancement of NLO response of methyl orange dyes through solvent effects: A sequential Monte Carlo/DFT investigation

2019 ◽  
Vol 94 ◽  
pp. 152-159 ◽  
Author(s):  
Vinícius Manzoni ◽  
Lucas Modesto-Costa ◽  
Jordan Del Nero ◽  
Tarciso Andrade-Filho ◽  
Rodrigo Gester
Keyword(s):  
Monte Carlo ◽  
Methyl Orange ◽  
Solvent Effects ◽  
Sequential Monte Carlo ◽  
Strong Enhancement ◽  
Nlo Response

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

2009 ◽  
Vol 113 (13) ◽  
pp. 4314-4322 ◽  
Author(s):  
Paula Jaramillo ◽  
Patricia Pérez ◽  
Patricio Fuentealba ◽  
Sylvio Canuto ◽  
Kaline Coutinho
Keyword(s):  
Monte Carlo ◽  
Quantum Mechanics ◽  
Solvent Effects ◽  
Sequential Monte Carlo ◽  
Mechanics Model
Sign in / Sign up

Export Citation Format

Share Document