Nuclear quadrupole coupling constants and hydrogen bonding. Molecular orbital study of oxygen-17 and deuterium field gradients in formaldehyde-water hydrogen bonding

Leslie G. Butler; Theodore L. Brown

doi:10.1021/ja00412a001

Nuclear quadrupole coupling constants and hydrogen bonding. Molecular orbital study of oxygen-17 and deuterium field gradients in formaldehyde-water hydrogen bonding

Journal of the American Chemical Society ◽

10.1021/ja00412a001 ◽

1981 ◽

Vol 103 (22) ◽

pp. 6541-6549 ◽

Cited By ~ 50

Author(s):

Leslie G. Butler ◽

Theodore L. Brown

Keyword(s):

Hydrogen Bonding ◽

Molecular Orbital ◽

Coupling Constants ◽

Field Gradients ◽

Molecular Orbital Study ◽

Orbital Study ◽

Quadrupole Coupling ◽

Nuclear Quadrupole ◽

Water Hydrogen

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ChemInform Abstract: NUCLEAR QUADRUPOLE COUPLING CONSTANTS AND HYDROGEN BONDING. MOLECULAR ORBITAL STUDY OF OXYGEN-17 AND DEUTERIUM FIELD GRADIENTS IN FORMALDEHYDE-WATER HYDROGEN BONDING

Chemischer Informationsdienst ◽

10.1002/chin.198207078 ◽

1982 ◽

Vol 13 (7) ◽

Author(s):

L. G. BUTLER ◽

T. L. BROWN

Keyword(s):

Hydrogen Bonding ◽

Molecular Orbital ◽

Coupling Constants ◽

Field Gradients ◽

Molecular Orbital Study ◽

Orbital Study ◽

Quadrupole Coupling ◽

Nuclear Quadrupole ◽

Water Hydrogen

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Nuclear magnetic resonance and molecular orbital study of internal hydrogen bonding in salicyl alcohol. Principal site analysis based on the sidechain methylene and hydroxy proton long-range coupling constants

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29870000121 ◽

1987 ◽

pp. 121 ◽

Cited By ~ 7

Author(s):

Reino Laatikainen ◽

Kari Tuppurainen

Keyword(s):

Nuclear Magnetic Resonance ◽

Hydrogen Bonding ◽

Magnetic Resonance ◽

Molecular Orbital ◽

Long Range ◽

Coupling Constants ◽

Site Analysis ◽

Molecular Orbital Study ◽

Orbital Study ◽

Hydroxy Proton

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Nitrogen nuclear quadrupole coupling constants in heterocyclic molecules from ab initio molecular-orbital wavefunctions

Chemical Physics Letters ◽

10.1016/0009-2614(69)85072-4 ◽

1969 ◽

Vol 4 (2) ◽

pp. 75-78 ◽

Cited By ~ 22

Author(s):

E. Kochanski ◽

J.M. Lehn ◽

B. Levy

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Coupling Constants ◽

Heterocyclic Molecules ◽

Quadrupole Coupling ◽

Nuclear Quadrupole

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ChemInform Abstract: ELECTRON SPIN RESONANCE AND INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP MOLECULAR ORBITAL STUDY OF THE Π CATIONS OF (HYDROXYMETHLY)URACIL AND (HYDROXYMETHYL)CYTOSINE. EVIDENCE FOR INTERNAL HYDROGEN BONDING

Chemischer Informationsdienst ◽

10.1002/chin.198320058 ◽

1983 ◽

Vol 14 (20) ◽

Author(s):

M. D. SEVILLA ◽

M. MCGLASHEN

Keyword(s):

Hydrogen Bonding ◽

Electron Spin Resonance ◽

Molecular Orbital ◽

Electron Spin ◽

Molecular Orbital Study ◽

Internal Hydrogen ◽

Orbital Study ◽

Spin Resonance ◽

Hydroxymethyl Cytosine ◽

Neglect Of Differential Overlap

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Microwave Spectrum, Conformational Equilibrium, Intramolecular Hydrogen Bonding, 14N Nuclear Quadrupole Coupling Constants and Centrifugal Distortion Constants of 1-Amino-3-butyne.

Acta Chemica Scandinavica ◽

10.3891/acta.chem.scand.39a-0209 ◽

1985 ◽

Vol 39a ◽

pp. 209-222 ◽

Cited By ~ 13

Author(s):

Ole-Anders Braathen ◽

K.-M. Marstokk ◽

Harald Møllendal ◽

Markku Leskelä ◽

Eberhard Hoyer

Keyword(s):

Hydrogen Bonding ◽

Conformational Equilibrium ◽

Intramolecular Hydrogen Bonding ◽

Microwave Spectrum ◽

Coupling Constants ◽

Centrifugal Distortion ◽

Quadrupole Coupling ◽

Nuclear Quadrupole ◽

Centrifugal Distortion Constants ◽

Intramolecular Hydrogen

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Molecular orbital study of the isotropic hyperfine coupling constants of hydroquinone and tetramethylhydroquinone cation radicals

Journal of the Chemical Society Faraday Transactions ◽

10.1039/a701894k ◽

1997 ◽

Vol 93 (18) ◽

pp. 3313-3317 ◽

Cited By ~ 3

Author(s):

Jussi Eloranta ◽

Reijo Suontamo ◽

Mikko Vuolle

Keyword(s):

Molecular Orbital ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Cation Radicals ◽

Molecular Orbital Study ◽

Orbital Study ◽

Isotropic Hyperfine Coupling ◽

Isotropic Hyperfine Coupling Constants

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Molecular orbital study of polarity and hydrogen bonding effects on thegand hyperfine tensors of site directed NO spin labelled bacteriorhodopsin

Molecular Physics ◽

10.1080/00268970210166246 ◽

2002 ◽

Vol 100 (23) ◽

pp. 3711-3721 ◽

Cited By ~ 81

Author(s):

MARTIN PLATO ◽

HEINZ-JÜRGEN STEINHOFF ◽

CHRISTOPH WEGENER ◽

JENS T. TÖRRING ◽

ANTON SAVITSKY ◽

...

Keyword(s):

Hydrogen Bonding ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study

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Hydrogen bonding. Part 75. Infrared, titrametric and molecular orbital study of the structure, solubility and reaction with fluoride ion of 2,3-dicarboxypyrazine

Journal of Molecular Structure ◽

10.1016/s0022-2860(00)00463-4 ◽

2000 ◽

Vol 526 (1-3) ◽

pp. 191-199 ◽

Cited By ~ 3

Author(s):

K.M Harmon ◽

K.E Shaw ◽

S.M Sadeki

Keyword(s):

Hydrogen Bonding ◽

Molecular Orbital ◽

Fluoride Ion ◽

Molecular Orbital Study ◽

Orbital Study

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A molecular-orbital study of the ortho-benzylic long-range proton-proton coupling constants 4JHH in biological phenethylamines

Journal of Magnetic Resonance (1969) ◽

10.1016/0022-2364(75)90114-6 ◽

1975 ◽

Vol 18 (3) ◽

pp. 564-568 ◽

Cited By ~ 1

Author(s):

Claude Giessner-Prettre ◽

Bernard Pullman

Keyword(s):

Molecular Orbital ◽

Long Range ◽

Coupling Constants ◽

Proton Proton ◽

Proton Coupling ◽

Molecular Orbital Study ◽

Orbital Study

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Hydrogen bonding. Part 81. Infrared and molecular orbital study of the hydrates of N,N-dimethyl-1-adamantamine-hydrogen fluoride

Journal of Molecular Structure ◽

10.1016/s0022-2860(02)00393-9 ◽

2002 ◽

Vol 642 (1-3) ◽

pp. 85-91 ◽

Cited By ~ 1

Author(s):

Kenneth M Harmon ◽

Eranda Nicolla ◽

Nicole M Benning

Keyword(s):

Hydrogen Bonding ◽

Molecular Orbital ◽

Hydrogen Fluoride ◽

Molecular Orbital Study ◽

Orbital Study

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