A QM/MM Monte Carlo Simulation Study of Solvent Effects on the Decarboxylation Reaction ofN-Carboxy-2-imidazolidinone Anion in Aqueous Solution

Daqing Gao; Yuh-Kang Pan

doi:10.1021/jo981523g

A QM/MM Monte Carlo Simulation Study of Solvent Effects on the Decarboxylation Reaction ofN-Carboxy-2-imidazolidinone Anion in Aqueous Solution

The Journal of Organic Chemistry ◽

10.1021/jo981523g ◽

1999 ◽

Vol 64 (4) ◽

pp. 1151-1159 ◽

Cited By ~ 1

Author(s):

Daqing Gao ◽

Yuh-Kang Pan

Keyword(s):

Aqueous Solution ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Solvent Effects ◽

Monte Carlo Simulation Study ◽

Decarboxylation Reaction

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Monte Carlo simulation study on the conformation and interaction of the glycine zwitterion in aqueous solution

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04942-1 ◽

1997 ◽

Vol 397 (1-3) ◽

pp. 113-119 ◽

Cited By ~ 19

Author(s):

Toshio Watanabe ◽

Kazuhiko Hashimoto ◽

Hideto Takase ◽

Osamu Kikuchi

Keyword(s):

Aqueous Solution ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Monte Carlo Simulation Study ◽

Glycine Zwitterion

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AB INITIO MO AND MONTE CARLO SIMULATION STUDY ON THE CONFORMATION OFL-ALANINE ZWITTERION IN AQUEOUS SOLUTION

Journal of Physical Organic Chemistry ◽

10.1002/(sici)1099-1395(199703)10:3<145::aid-poc885>3.0.co;2-b ◽

1997 ◽

Vol 10 (3) ◽

pp. 145-151 ◽

Cited By ~ 24

Author(s):

Osamu Kikuchi ◽

Toshio Watanabe ◽

Yasushi Ogawa ◽

Hideto Takase ◽

Ohgi Takahashi

Keyword(s):

Aqueous Solution ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Ab Initio ◽

Simulation Study ◽

Monte Carlo Simulation Study ◽

Ab Initio Mo

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A Monte Carlo simulation study of associated liquid crystals

Molecular Physics ◽

10.1080/002689799162966 ◽

1999 ◽

Vol 97 (11) ◽

pp. 1173-1184 ◽

Cited By ~ 1

Author(s):

R. Berardi, M. Fehervari, C. Zannoni

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Liquid Crystals ◽

Simulation Study ◽

Monte Carlo Simulation Study

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Examining the Performance Characteristics of Growth Mixture Modeling: A Monte Carlo Simulation Study

PsycEXTRA Dataset ◽

10.1037/e619812009-001 ◽

2009 ◽

Author(s):

James Peugh ◽

Xitao Fan

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Growth Mixture Modeling ◽

Mixture Modeling ◽

Performance Characteristics ◽

Monte Carlo Simulation Study ◽

Growth Mixture

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Monte Carlo simulation study of detector performance for X-ray baggage inspection system

10.1063/5.0017839 ◽

2020 ◽

Author(s):

Amit Kumar ◽

Anita Topkar

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Inspection System ◽

Detector Performance ◽

Monte Carlo Simulation Study ◽

X Ray

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The Role of Sample Size in Testing a Hypothesis in Complex Cross-Sectional Studies: A Monte Carlo Simulation Study

Studies in Economics and Econometrics ◽

10.1080/10800379.2008.12106450 ◽

2008 ◽

Vol 32 (2) ◽

pp. 63-68

Author(s):

P A E Serumaga-Zake ◽

R Arnab

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Sample Size ◽

Simulation Study ◽

Cross Sectional ◽

Monte Carlo Simulation Study ◽

Complex Cross ◽

Cross Sectional Studies

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A Monte Carlo Simulation Study on the Influence of Unequal Group Sizes on Parameter Estimation in Multilevel Confirmatory Factor Analysis

Structural Equation Modeling A Multidisciplinary Journal ◽

10.1080/10705511.2021.1913594 ◽

2021 ◽

pp. 1-12

Author(s):

Felix Jonas Eßer ◽

Jana Holtmann ◽

Michael Eid

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Factor Analysis ◽

Parameter Estimation ◽

Confirmatory Factor Analysis ◽

Simulation Study ◽

Monte Carlo Simulation Study ◽

Multilevel Confirmatory Factor Analysis ◽

Confirmatory Factor

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Monte Carlo simulation study for proton therapy at energy range 62 MeV – 240 MeV using GEANT4

10.1063/5.0052384 ◽

2021 ◽

Author(s):

Nitika Sangwan ◽

Ashavani Kumar

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Energy Range ◽

Proton Therapy ◽

Simulation Study ◽

Monte Carlo Simulation Study

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Two-dimensional dose distribution measurement based on rotational optical fiber array: A Monte Carlo simulation study

Radiation Measurements ◽

10.1016/j.radmeas.2021.106556 ◽

2021 ◽

Vol 142 ◽

pp. 106556

Author(s):

Pinyuan Xu ◽

Changran Geng ◽

Diyun Shu ◽

Xiaobin Tang ◽

Huan Liu ◽

...

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Optical Fiber ◽

Simulation Study ◽

Dose Distribution ◽

Two Dimensional ◽

Monte Carlo Simulation Study ◽

Fiber Array ◽

Distribution Measurement ◽

Optical Fiber Array

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Efficacy of various nanoparticle types in dose enhancement during low energy X-ray IORT: A Monte Carlo simulation study

Radiation Physics and Chemistry ◽

10.1016/j.radphyschem.2021.109432 ◽

2021 ◽

pp. 109432

Author(s):

Hamid Reza Baghani ◽

Shiva Nasrollahi

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Low Energy ◽

Dose Enhancement ◽

Monte Carlo Simulation Study ◽

X Ray

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