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Articles (8)

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1-8 of 8 results for Solvent reaction field models

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Select article: Aprotic Solvent Effects upon the Fundamental Vibrational Peak of the Nitrile Group in Benzonitrile

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Research article

First published 2000-6

Aprotic Solvent Effects upon the Fundamental Vibrational Peak of the Nitrile Group in Benzonitrile

Orland W. Kolling

Applied Spectroscopy

Select article: Re-Examination of the Effect of Aprotic Solvents upon the Fundamental Vibrational Peak of the Carbonyl Group in 1,1,3,3-Tetramethylurea

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Research article

First published 1999-1

Re-Examination of the Effect of Aprotic Solvents upon the Fundamental Vibrational Peak of the Carbonyl Group in 1,1,3,3-Tetramethylurea

Orland W. Kolling

Applied Spectroscopy

Select article: Solvent Effects on the Internal Rotation Barrier around the C–N Bond and 14N NMR Shielding of 2-Amino-3-Mercapto Propionamide: Continuous Set of Gauge Transformation Calculations using a Polarisable Continuum Model

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Research article

First published 2003-5

Solvent Effects on the Internal Rotation Barrier around the C–N Bond and 14N NMR Shielding of 2-Amino-3-Mercapto Propionamide: Continuous Set of Gauge Transformation Calculations using a Polarisable Continuum Model

Mohsen Shabani, Majid Monajjemi, Hossein Aghai

Journal of Chemical Research

Select article: Molecular electric properties of nitrogen heterocycles

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Research article

First published 2009-5

Molecular electric properties of nitrogen heterocycles

F. Safinejad, M. Asghari-Khiavi

Journal of Computational Methods in Sciences and Engineering

Select article: Solvent and temperature effects on the tautomerization of a carbonitrile molecule: A conductor-like polarizable continuum model (CPCM) study

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Research article

First published 2021-05-10

Solvent and temperature effects on the tautomerization of a carbonitrile molecule: A conductor-like polarizable continuum model (CPCM) study

Zohreh Khanjari, Bita Mohtat, Reza Ghiasi [...]

Main Group Chemistry

Select article: Complex formation of titanocene dichloride anticancer and Al 12 N 12 nano-cluster: A quantum chemical investigation of solvent,temperature and pressure effects

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Research article

First published 2021-05-10

Complex formation of titanocene dichloride anticancer and Al 12 N 12 nano-cluster: A quantum chemical investigation of solvent,temperature and pressure effects

Reza Ghiasi, Maryam Rahimi

Main Group Chemistry

Select article: C-PCM study on the electronic and optical properties of Fe(CO) 4 B 12 N 12 complexes

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Research article

First published 2023-04-05

C-PCM study on the electronic and optical properties of Fe(CO) 4 B 12 N 12 complexes

Hedieh Asadzadeh, Reza Ghiasi, Mohammad Yousefi [...]

Main Group Chemistry

Select article: Mechanism of the Water-Catalysed Addition between Melamine and Formaldehyde: A Theoretical Investigation

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Research article

First published 2014-6

Mechanism of the Water-Catalysed Addition between Melamine and Formaldehyde: A Theoretical Investigation

Taohong Li, Xiaoguang Xie, Guanben Du

Progress in Reaction Kinetics and Mechanism

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