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

Igor Tvaroska; Jeremy P. Carver

doi:10.1021/j100077a006

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

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 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

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

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

Prediction of planarity and reduction potential of derivatives of tetracyanoquinodimethane using ab initio molecular orbital theory

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29950000907 ◽

1995 ◽

pp. 907 ◽

Cited By ~ 3

Author(s):

Peter W. Kenny

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Reduction Potential ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Derivatives Of

ChemInform Abstract: THE ELECTRONIC STRUCTURE OF AROMATIC MOLECULES- AB INITIO MOLECULAR ORBITAL STUDIES AND PHOTOELECTRON SPECTRA FOR THE AZA-DERIVATIVES OF INDOLE, BENZOFURAN AND BENZOTHIOPHENE

Chemischer Informationsdienst ◽

10.1002/chin.197821043 ◽

1978 ◽

Vol 9 (21) ◽

Author(s):

M. H. PALMER ◽

S. M. F. KENNEDY

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Molecular Orbital ◽

Photoelectron Spectra ◽

Aromatic Molecules ◽

Derivatives Of

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

The structure of bisulfate and perchlorate on a Pt(111) electrode surface studied by infrared spectroscopy and ab-initio molecular orbital calculation

Journal of Electron Spectroscopy and Related Phenomena ◽

10.1016/0368-2048(93)80117-5 ◽

1993 ◽

Vol 64-65 ◽

pp. 515-522 ◽

Cited By ~ 65

Author(s):

Y. Sawatari ◽

J. Inukai ◽

M. Ito

Keyword(s):

Infrared Spectroscopy ◽

Ab Initio ◽

Molecular Orbital ◽

Electrode Surface ◽

Molecular Orbital Calculation

Structure of Hydrogen-Bonded Clusters of 7-Azaindole Studied by IR Dip Spectroscopy and ab Initio Molecular Orbital Calculation

The Journal of Physical Chemistry A ◽

10.1021/jp011245g ◽

2001 ◽

Vol 105 (41) ◽

pp. 9366-9374 ◽

Cited By ~ 61

Author(s):

Hiroshi Yokoyama ◽

Hidekazu Watanabe ◽

Takuichiro Omi ◽

Shun-ichi Ishiuchi ◽

Masaaki Fujii

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculation ◽

Hydrogen Bonded