Ab initio molecular orbital calculation of carbohydrate model compounds. 2. Conformational analysis of axial and equatorial 2-methoxytetrahydropyrans

Igor Tvaroska; Jeremy P. Carver

doi:10.1021/j100089a020

Ab initio molecular orbital calculation of carbohydrate model compounds. 2. Conformational analysis of axial and equatorial 2-methoxytetrahydropyrans

The Journal of Physical Chemistry ◽

10.1021/j100089a020 ◽

1994 ◽

Vol 98 (38) ◽

pp. 9477-9485 ◽

Cited By ~ 40

Author(s):

Igor Tvaroska ◽

Jeremy P. Carver

Keyword(s):

Conformational Analysis ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculation ◽

Model Compounds

ChemInform Abstract: Ab initio Molecular Orbital Calculation of Carbohydrate Model Compounds. Part 6. The Gauche Effect and Conformations of the Hydroxymethyl and Methoxymethyl Groups

ChemInform ◽

10.1002/chin.199728177 ◽

2010 ◽

Vol 28 (28) ◽

pp. no-no

Author(s):

I. TVAROSKA ◽

J. P. CARVER

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculation ◽

Model Compounds ◽

Gauche Effect

Ab initio molecular orbital calculation of carbohydrate model compounds 4. Flexibility of Ψ-type glycosidic bonds in carbohydrates

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04674-x ◽

1997 ◽

Vol 395-396 ◽

pp. 1-13 ◽

Cited By ~ 13

Author(s):

Igor Tvaroška ◽

Jeremy P. Carver

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculation ◽

Model Compounds ◽

Glycosidic Bonds

Ab Initio Molecular Orbital Calculation on Carbohydrate Model Compounds. 1. The Anomeric Effect in Fluoro and Chloro Derivatives of Tetrahydropyran

The Journal of Physical Chemistry ◽

10.1021/j100077a006 ◽

1994 ◽

Vol 98 (26) ◽

pp. 6452-6458 ◽

Cited By ~ 19

Author(s):

Igor Tvaroska ◽

Jeremy P. Carver

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculation ◽

Anomeric Effect ◽

Model Compounds ◽

Chloro Derivatives ◽

Derivatives Of

Ab Initio Molecular Orbital Calculation of Carbohydrate Model Compounds. 3. Effect of the Electric Field on Conformations about the Glycosidic Linkage

The Journal of Physical Chemistry ◽

10.1021/j100016a070 ◽

1995 ◽

Vol 99 (16) ◽

pp. 6234-6241 ◽

Cited By ~ 17

Author(s):

Igor Tvaroska ◽

Jeremy P. Carver

Keyword(s):

Electric Field ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculation ◽

Glycosidic Linkage ◽

Model Compounds

Conformational analysis of model compounds of non-ionic surfactants in aqueous solution: Raman spectroscopy and ab initio MO calculations

Journal of Molecular Structure ◽

10.1016/s0022-2860(10)80030-4 ◽

1994 ◽

Vol 311 ◽

pp. 205-210 ◽

Cited By ~ 2

Author(s):

Hiroshi Yoshida ◽

Kazunori Takikawa ◽

Ichiro Kaneko ◽

Hiroatsu Matsuura

Keyword(s):

Aqueous Solution ◽

Raman Spectroscopy ◽

Conformational Analysis ◽

Ab Initio ◽

Ionic Surfactants ◽

Mo Calculations ◽

Model Compounds ◽

Ab Initio Mo Calculations ◽

Ab Initio Mo

Conformational Analysis of the Molecular Complexes of Sodium with Methanol and 1,2-Ethanediol: Photoionization and ab Initio Molecular Orbital Studies

The Journal of Physical Chemistry A ◽

10.1021/jp9838137 ◽

1999 ◽

Vol 103 (16) ◽

pp. 3115-3122 ◽

Cited By ~ 5

Author(s):

T.-S. Yeh ◽

T.-M. Su

Keyword(s):

Conformational Analysis ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Complexes

Conformational analysis of allyl alcohol. An ab initio molecular orbital study

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(84)85007-1 ◽

1984 ◽

Vol 108 (3-4) ◽

pp. 229-239 ◽

Cited By ~ 14

Author(s):

James Kao ◽

Ted Katz

Keyword(s):

Conformational Analysis ◽

Ab Initio ◽

Molecular Orbital ◽

Allyl Alcohol ◽

Molecular Orbital Study ◽

Orbital Study

Ab initio molecular orbital conformational analysis of prototypical organic systems. 1. Ethylene glycol and 1,2-dimethoxyethane

Journal of the American Chemical Society ◽

10.1021/ja00051a038 ◽

1992 ◽

Vol 114 (25) ◽

pp. 10010-10018 ◽

Cited By ~ 61

Author(s):

Mark A. Murcko ◽

Raymond A. DiPaola

Keyword(s):

Ethylene Glycol ◽

Conformational Analysis ◽

Ab Initio ◽

Molecular Orbital ◽

Organic Systems

Reactions of gaseous mono- and dihaloethenes with methylamine radical cation: a study of mechanism by Fourier transform ion cyclotron resonance spectrometry and ab initio molecular orbital calculation

European Journal of Mass Spectrometry ◽

10.1255/ejms.255 ◽

1999 ◽

Vol 5 (1) ◽

pp. 93 ◽

Cited By ~ 4

Author(s):

Andreas Nixdorf ◽

Hans- Friedrich Grützmacher

Keyword(s):

Fourier Transform ◽

Ab Initio ◽

Molecular Orbital ◽

Radical Cation ◽

Cyclotron Resonance ◽

Molecular Orbital Calculation ◽

Ion Cyclotron Resonance ◽

Ion Cyclotron ◽

Ion Cyclotron Resonance Spectrometry

Ab Initio Molecular Orbital Calculations onN-β-Mercaptoethylacetamide and Its Derivatives as Model Compounds of Coenzyme A (CoA), Acetyl-CoA, and Malonyl-CoA

The Journal of Physical Chemistry B ◽

10.1021/jp9706184 ◽

1997 ◽

Vol 101 (35) ◽

pp. 7001-7006 ◽

Cited By ~ 4

Author(s):

Young Kee Kang ◽

Seong Jun Han

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Coenzyme A ◽

Molecular Orbital Calculations ◽

Model Compounds ◽

Acetyl Coa ◽

Malonyl Coa