Conformational structure of 1,2-dimethoxyethane in water and other dipolar solvents, studied by quantum chemical, reaction field, and statistical mechanical techniques

M. Andersson; G. Karlstrom

doi:10.1021/j100269a014

Conformational structure of 1,2-dimethoxyethane in water and other dipolar solvents, studied by quantum chemical, reaction field, and statistical mechanical techniques

The Journal of Physical Chemistry ◽

10.1021/j100269a014 ◽

1985 ◽

Vol 89 (23) ◽

pp. 4957-4962 ◽

Cited By ~ 57

Author(s):

M. Andersson ◽

G. Karlstrom

Keyword(s):

Chemical Reaction ◽

Quantum Chemical ◽

Conformational Structure ◽

Reaction Field ◽

Statistical Mechanical

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Quantum chemical studies on the conformational structure of nucleic acids IV. calculation of backbone structure by CNDO method

Journal of Theoretical Biology ◽

10.1016/0022-5193(74)90149-0 ◽

1974 ◽

Vol 46 (1) ◽

pp. 229-239 ◽

Cited By ~ 26

Author(s):

Ravindra Tewari ◽

Rabindra K. Nanda ◽

Girjesh Govil

Keyword(s):

Nucleic Acids ◽

Quantum Chemical ◽

Conformational Structure ◽

Cndo Method ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Backbone Structure

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Quantum Chemical Reaction Path and Transition State for a Model Cope (and Reverse Cope) Elimination

The Journal of Physical Chemistry A ◽

10.1021/jp970617b ◽

1997 ◽

Vol 101 (19) ◽

pp. 3554-3560 ◽

Cited By ~ 22

Author(s):

Istvan Komaromi ◽

Jean M. J. Tronchet

Keyword(s):

Transition State ◽

Chemical Reaction ◽

Quantum Chemical ◽

Reaction Path

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Successive approximations in the quantum-chemical and statistical-mechanical study of aqueous solutions, particularly with biomolecule solutes

Inorganica Chimica Acta ◽

10.1016/s0020-1693(00)92093-0 ◽

1980 ◽

Vol 40 ◽

pp. X40-X41

Author(s):

S. Romano

Keyword(s):

Aqueous Solutions ◽

Quantum Chemical ◽

Successive Approximations ◽

Mechanical Study ◽

Statistical Mechanical

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Tribo-Chemical Reaction of Molybdenum Dithiocarbamate on Diamond-like Carbon Films: Quantum Chemical Molecular Dynamics Simulation

Journal of Computer Chemistry Japan ◽

10.2477/jccj.2014-0034 ◽

2014 ◽

Vol 13 (3) ◽

pp. 177-178

Author(s):

Hiroki MURABAYASHI ◽

Takeshi TSURUDA ◽

Yang WANG ◽

Yoshihiko KOBAYASHI ◽

Shandan BAI ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Chemical Reaction ◽

Quantum Chemical ◽

Carbon Films ◽

Dynamics Simulation ◽

Diamond Like Carbon ◽

Quantum Chemical Molecular Dynamics

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Elementary Reaction Analysis on Sodium-Water Chemical Reaction Field

TRANSACTIONS OF THE JAPAN SOCIETY OF MECHANICAL ENGINEERS Series B ◽

10.1299/kikaib.78.480 ◽

2012 ◽

Vol 78 (787) ◽

pp. 480-484

Author(s):

Yoshihiro DEGUCHI ◽

Koichi IMANAKA ◽

Takashi TAKATA ◽

Akira YAMAGUCHI ◽

Shin KIKUCHI ◽

...

Keyword(s):

Chemical Reaction ◽

Elementary Reaction ◽

Reaction Field

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On the usefulness of generalised quantum chemical valence parameters in monitoring the course of a chemical reaction: A case study of the photochemical decomposition of HNO in excited states

Journal of Chemical Sciences ◽

10.1007/bf02840676 ◽

1989 ◽

Vol 101 (5) ◽

pp. 421-428

Author(s):

D. K. Maity ◽

K. K. Das ◽

S. P. Bhattacharyya

Keyword(s):

Excited States ◽

Chemical Reaction ◽

Quantum Chemical ◽

Photochemical Decomposition

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ChemInform Abstract: QUANTUM CHEMICAL INVESTIGATIONS OF THE CONFORMATIONAL STRUCTURE OF PROTONATED 2,2′-BIPYRIDINE

Chemischer Informationsdienst ◽

10.1002/chin.198302051 ◽

1983 ◽

Vol 14 (2) ◽

Author(s):

R. BENEDIX ◽

P. BIRNER ◽

H. HENNIG

Keyword(s):

Quantum Chemical ◽

Conformational Structure

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Study of the Hydroxyl Ion in Water. A Combined Quantum Chemical and Statistical Mechanical Treatment

The Journal of Physical Chemistry A ◽

10.1021/jp027770c ◽

2003 ◽

Vol 107 (26) ◽

pp. 5217-5222 ◽

Cited By ~ 10

Author(s):

Jose Manuel Hermida-Ramón ◽

Gunnar Karlström

Keyword(s):

Quantum Chemical ◽

Mechanical Treatment ◽

Hydroxyl Ion ◽

Statistical Mechanical

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Conformational structure of the unsymmetrical monomethine cyanine bearing 2-azaazulene and 2-benzothiazole residues as terminal groups: Experimental and quantum-chemical investigation

Journal of Molecular Structure ◽

10.1016/j.molstruc.2010.08.010 ◽

2010 ◽

Vol 982 (1-3) ◽

pp. 79-86 ◽

Cited By ~ 2

Author(s):

Aleksey B. Ryabitskii ◽

Julia L. Bricks ◽

Aleksey D. Kachkovskii ◽

Alexander N. Chernega ◽

Yurii G. Vlasenko

Keyword(s):

Quantum Chemical ◽

Chemical Investigation ◽

Conformational Structure ◽

Quantum Chemical Investigation

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A104 Elementary Reaction Analysis on Sodium-Water Chemical Reaction Field

The Proceedings of the National Symposium on Power and Energy Systems ◽

10.1299/jsmepes.2011.16.5 ◽

2011 ◽

Vol 2011.16 (0) ◽

pp. 5-8

Author(s):

Yoshihiro DEGUCHI ◽

Koichi IMANAKA ◽

Takashi TAKATA ◽

Akira YAMAGUCHI ◽

Shin KIKUCHI ◽

...

Keyword(s):

Chemical Reaction ◽

Elementary Reaction ◽

Reaction Field

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