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 ◽

Author(s):

Kenneth M Harmon ◽

Eranda Nicolla ◽

Nicole M Benning

Keyword(s):

Hydrogen Bonding ◽

Molecular Orbital ◽

Hydrogen Fluoride ◽

Molecular Orbital Study ◽

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Molecular Electrostatic Potential as Reactivity Index in Hydrogen Bonding: Ab Initio Molecular Orbital Study of Complexes of Nitrile and Carbonyl Compounds with Hydrogen Fluoride†

The Journal of Physical Chemistry A ◽

10.1021/jp984313g ◽

1999 ◽

Vol 103 (34) ◽

pp. 6793-6799 ◽

Author(s):

Boris Galabov ◽

Petia Bobadova-Parvanova

Keyword(s):

Hydrogen Bonding ◽

Ab Initio ◽

Molecular Orbital ◽

Hydrogen Fluoride ◽

Electrostatic Potential ◽

Carbonyl Compounds ◽

Molecular Electrostatic Potential ◽

Reactivity Index ◽

Molecular Orbital Study ◽

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Hydrogen bonding. Part 73. IR, NMR, and ab initio molecular orbital study of N,N-dimethyl-1-adamantamine-hydrogen fluoride, a crystalline, H2O stable compound with a three-center N–H–F bond

Journal of Molecular Structure ◽

10.1016/s0022-2860(99)00344-0 ◽

2000 ◽

Vol 522 (1-3) ◽

pp. 79-86 ◽

Author(s):

K.M Harmon ◽

A.C Webb

Keyword(s):

Hydrogen Bonding ◽

Ab Initio ◽

Molecular Orbital ◽

Hydrogen Fluoride ◽

Stable Compound ◽

Molecular Orbital Study ◽

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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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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 ◽

Author(s):

MARTIN PLATO ◽

HEINZ-JÜRGEN STEINHOFF ◽

CHRISTOPH WEGENER ◽

JENS T. TÖRRING ◽

ANTON SAVITSKY ◽

...

Keyword(s):

Hydrogen Bonding ◽

Molecular Orbital ◽

Molecular 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 ◽

Author(s):

K.M Harmon ◽

K.E Shaw ◽

S.M Sadeki

Keyword(s):

Hydrogen Bonding ◽

Molecular Orbital ◽

Fluoride Ion ◽

Molecular Orbital Study ◽

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Ab initio molecular orbital study on the electronic structure of some excited hydrogen-bonding systems

The Journal of Physical Chemistry ◽

10.1021/j150650a002 ◽

1984 ◽

Vol 88 (6) ◽

pp. 1052-1055 ◽

Author(s):

Hidetsugu Tanaka ◽

Kichisuke Nishimoto

Keyword(s):

Hydrogen Bonding ◽

Electronic Structure ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study ◽

Bonding Systems

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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 ◽

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 ◽

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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 ◽

Author(s):

Reino Laatikainen ◽

Kari Tuppurainen

Keyword(s):

Nuclear Magnetic Resonance ◽

Hydrogen Bonding ◽

Magnetic Resonance ◽

Molecular Orbital ◽

Coupling Constants ◽

Site Analysis ◽

Molecular Orbital Study ◽

Orbital Study ◽

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Anab initio molecular orbital study of hydrogen bonding and ion-molecule association in model systems for DNA bases

International Journal of Quantum Chemistry ◽

10.1002/qua.560340712 ◽

1988 ◽

Vol 34 (S15) ◽

pp. 119-135 ◽

Author(s):

Janet E. Del Bene

Keyword(s):

Hydrogen Bonding ◽

Molecular Orbital ◽

Model Systems ◽

Dna Bases ◽

Molecular Orbital Study ◽

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Hydrogen bonding. Part 86: DFT molecular orbital study of the first hydration shell of N,N,N-trimethyl-1-adamantylammonium ion

Journal of Molecular Structure ◽

10.1016/j.molstruc.2007.12.042 ◽

2008 ◽

Vol 888 (1-3) ◽

pp. 430-434 ◽

Author(s):

Kenneth M. Harmon ◽

Lydia S. Nowos

Keyword(s):

Hydrogen Bonding ◽

Molecular Orbital ◽

Hydration Shell ◽

Molecular Orbital Study ◽

Orbital Study ◽

First Hydration Shell

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