Molecular orbital study of the dimers (AHn)2 formed from ammonia, water, hydrogen fluoride, phosphine, hydrogen sulfide, and hydrogen chloride

Michael J. Frisch; John A. Pople; Janet E. Del Bene

doi:10.1021/j100263a018

Molecular orbital study of the dimers (AHn)2 formed from ammonia, water, hydrogen fluoride, phosphine, hydrogen sulfide, and hydrogen chloride

The Journal of Physical Chemistry ◽

10.1021/j100263a018 ◽

1985 ◽

Vol 89 (17) ◽

pp. 3664-3669 ◽

Cited By ~ 164

Author(s):

Michael J. Frisch ◽

John A. Pople ◽

Janet E. Del Bene

Keyword(s):

Hydrogen Sulfide ◽

Hydrogen Chloride ◽

Molecular Orbital ◽

Hydrogen Fluoride ◽

Ammonia Water ◽

Molecular Orbital Study ◽

Orbital Study ◽

Water Hydrogen

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Molecular orbital study of the complexes (AHn)2H+ formed from ammonia, water, hydrogen fluoride, phosphine, hydrogen sulfide, and hydrogen chloride

The Journal of Physical Chemistry ◽

10.1021/j100263a019 ◽

1985 ◽

Vol 89 (17) ◽

pp. 3669-3674 ◽

Cited By ~ 69

Author(s):

Janet E. Del Bene ◽

Michael J. Frisch ◽

John A. Pople

Keyword(s):

Hydrogen Sulfide ◽

Hydrogen Chloride ◽

Molecular Orbital ◽

Hydrogen Fluoride ◽

Ammonia Water ◽

Molecular Orbital Study ◽

Orbital Study ◽

Water Hydrogen

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Comparison of theoretical methods for the determination of the protonation and deprotonation energies of ammonia, water, hydrogen fluoride, phosphine, hydrogen sulfide, hydrogen chloride and hydrogen cyanide

The Journal of Physical Chemistry ◽

10.1021/j100377a019 ◽

1990 ◽

Vol 94 (14) ◽

pp. 5514-5518 ◽

Cited By ~ 18

Author(s):

Janet E. Del Bene ◽

Isaiah. Shavitt

Keyword(s):

Hydrogen Sulfide ◽

Hydrogen Chloride ◽

Hydrogen Fluoride ◽

Hydrogen Cyanide ◽

Ammonia Water ◽

Theoretical Methods ◽

Water Hydrogen

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Singlet nitrene insertion into water, hydrogen sulfide, hydrogen fluoride, and hydrogen chloride

Journal of the American Chemical Society ◽

10.1021/ja00014a013 ◽

1991 ◽

Vol 113 (14) ◽

pp. 5219-5223 ◽

Cited By ~ 10

Author(s):

Pamidighantam V. Sudhakar ◽

Koop Lammertsma

Keyword(s):

Hydrogen Sulfide ◽

Hydrogen Chloride ◽

Hydrogen Fluoride ◽

Water Hydrogen

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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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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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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 ◽

Cited By ~ 74

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 ◽

Orbital Study

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Ab initio molecular orbital study of mechanisms of the reaction of diborane with hydrogen sulfide

The Journal of Physical Chemistry ◽

10.1021/j100131a025 ◽

1993 ◽

Vol 97 (29) ◽

pp. 7543-7552 ◽

Cited By ~ 7

Author(s):

Alexander M. Mebel ◽

Djamaladdin G. Musaev ◽

Keiji Morokuma

Keyword(s):

Hydrogen Sulfide ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study

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ChemInform Abstract: A MOLECULAR ORBITAL STUDY OF THE CONFORMATION AND G-FACTORS OF THE HYDROGEN SULFIDE (H2SSH2+) AND HYDROGEN SULFIDE (H2SSH) RADICALS

Chemischer Informationsdienst ◽

10.1002/chin.198125002 ◽

1981 ◽

Vol 12 (25) ◽

Author(s):

O. KIKUCHI

Keyword(s):

Hydrogen Sulfide ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study ◽

G Factors

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Ab Initio Molecular-Orbital Study of Hydrogen-Bonded Complexes of Carbonyl Aliphatic Compounds and Hydrogen Fluoride

The Journal of Physical Chemistry A ◽

10.1021/jp9710852 ◽

1998 ◽

Vol 102 (10) ◽

pp. 1815-1819 ◽

Cited By ~ 40

Author(s):

Petia Bobadova-Parvanova ◽

Boris Galabov

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Hydrogen Fluoride ◽

Aliphatic Compounds ◽

Molecular Orbital Study ◽

Orbital Study ◽

Bonded Complexes ◽

Hydrogen Bonded

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Enhanced Stability of Non-Proton-Transferred Clusters of Hydrated Hydrogen Fluoride HF(H2O)n(n= 1−7): A Molecular Orbital Study

The Journal of Physical Chemistry A ◽

10.1021/jp011003g ◽

2001 ◽

Vol 105 (42) ◽

pp. 9725-9735 ◽

Cited By ~ 27

Author(s):

Suyong Re

Keyword(s):

Molecular Orbital ◽

Hydrogen Fluoride ◽

Molecular Orbital Study ◽

Orbital Study ◽

Enhanced Stability

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