Studies of hydrogen bonding in the vapor phase by measurement of thermal conductivity and molecular orbital calculations: Methanol–water binary mixtures

The Journal of Chemical Physics ◽

10.1063/1.442041 ◽

1981 ◽

Vol 75 (12) ◽

pp. 5900-5907 ◽

Author(s):

L. A. Curtiss ◽

D. J. Frurip ◽

M. Blander

Keyword(s):

Thermal Conductivity ◽

Hydrogen Bonding ◽

Molecular Orbital ◽

Binary Mixtures ◽

Vapor Phase ◽

Molecular Orbital Calculations

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ChemInform Abstract: STUDIES OF HYDROGEN BONDING IN THE VAPOR PHASE BY MEASUREMENT OF THERMAL CONDUCTIVITY AND MOLECULAR ORBITAL CALCULATIONS. 2,2,2-TRIFLUOROETHANOL

Chemischer Informationsdienst ◽

10.1002/chin.197817074 ◽

1978 ◽

Vol 9 (17) ◽

Author(s):

L. A. CURTISS ◽

D. J. FRURIP ◽

M. BLANDER

Keyword(s):

Thermal Conductivity ◽

Hydrogen Bonding ◽

Molecular Orbital ◽

Vapor Phase ◽

Molecular Orbital Calculations

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Studies of hydrogen bonding in the vapor phase by measurement of thermal conductivity and molecular orbital calculations. 2,2,2-Trifluoroethanol

Journal of the American Chemical Society ◽

10.1021/ja00469a013 ◽

1978 ◽

Vol 100 (1) ◽

pp. 79-86 ◽

Author(s):

L. A. Curtiss ◽

D. J. Frurip ◽

M. Blander

Keyword(s):

Thermal Conductivity ◽

Hydrogen Bonding ◽

Molecular Orbital ◽

Vapor Phase ◽

Molecular Orbital Calculations

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ChemInform Abstract: VAPOR PHASE ASSOCIATION IN ACETIC AND TRIFLUOROACETIC ACIDS. THERMAL CONDUCTIVITY MEASUREMENTS AND MOLECULAR ORBITAL CALCULATIONS

Chemischer Informationsdienst ◽

10.1002/chin.198029097 ◽

1980 ◽

Vol 11 (29) ◽

Author(s):

D. J. FRURIP ◽

L. A. CURTISS ◽

M. BLANDER

Keyword(s):

Thermal Conductivity ◽

Molecular Orbital ◽

Vapor Phase ◽

Molecular Orbital Calculations ◽

Conductivity Measurements

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Vapor phase association in acetic and trifluoroacetic acids. Thermal conductivity measurements and molecular orbital calculations

Journal of the American Chemical Society ◽

10.1021/ja00528a015 ◽

1980 ◽

Vol 102 (8) ◽

pp. 2610-2616 ◽

Author(s):

D. J. Frurip ◽

L. A. Curtiss ◽

M. Blander

Keyword(s):

Thermal Conductivity ◽

Molecular Orbital ◽

Vapor Phase ◽

Molecular Orbital Calculations ◽

Conductivity Measurements

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Theoretical studies of Si vapor-phase epitaxial growth by Iab initioP molecular-orbital calculations

Physical Review B ◽

10.1103/physrevb.41.12720 ◽

1990 ◽

Vol 41 (18) ◽

pp. 12720-12727 ◽

Author(s):

Yoshio Ohshita ◽

Akihiko Ishitani ◽

Toshikazu Takada

Keyword(s):

Epitaxial Growth ◽

Molecular Orbital ◽

Vapor Phase ◽

Molecular Orbital Calculations ◽

Theoretical Studies

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Molecular structure and intramolecular hydrogen bonding in 4,6-dinitroresorcinol and 2,5-dinitrohydroquinone from ab initio molecular orbital calculations

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04859-2 ◽

1997 ◽

Vol 393 (1-3) ◽

pp. 121-126 ◽

Author(s):

Konstantin B. Borisenko ◽

Charles W. Bock ◽

István Hargittai

Keyword(s):

Molecular Structure ◽

Hydrogen Bonding ◽

Ab Initio ◽

Molecular Orbital ◽

Intramolecular Hydrogen Bonding ◽

Molecular Orbital Calculations ◽

Intramolecular Hydrogen

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Synthesis, Structure, and Properties of Magnesocene Amine Adducts. Structural Distortions Arising from N−H···C5H5-Hydrogen Bonding and Molecular Orbital Calculations Thereof

Organometallics ◽

10.1021/om030452v ◽

2003 ◽

Vol 22 (20) ◽

pp. 4060-4069 ◽

Author(s):

Aibing Xia ◽

John E. Knox ◽

Mary Jane Heeg ◽

H. Bernhard Schlegel ◽

Charles H. Winter

Keyword(s):

Hydrogen Bonding ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Structure And Properties ◽

Structural Distortions ◽

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Ion-specificity for hydrogen-bonding hydration of polymer: an approach by ab initio molecular orbital calculations

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(00)00632-1 ◽

2001 ◽

Vol 536 (2-3) ◽

pp. 219-226 ◽

Author(s):

H Muta ◽

R Kojima ◽

S Kawauchi ◽

A Tachibana ◽

M Satoh

Keyword(s):

Hydrogen Bonding ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Ion Specificity

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Effects of Intermolecular Hydrogen-Bonding Interactions on the Amide I Mode ofN-Methylacetamide: Matrix-Isolation Infrared Studies and ab Initio Molecular Orbital Calculations

The Journal of Physical Chemistry B ◽

10.1021/jp972879j ◽

1998 ◽

Vol 102 (1) ◽

pp. 309-314 ◽

Author(s):

Hajime Torii ◽

Tomoaki Tatsumi ◽

Takanori Kanazawa ◽

Mitsuo Tasumi

Keyword(s):

Hydrogen Bonding ◽

Ab Initio ◽

Molecular Orbital ◽

Matrix Isolation ◽

Molecular Orbital Calculations ◽

Intermolecular Hydrogen Bonding ◽

Hydrogen Bonding Interactions ◽

Infrared Studies

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The use of molecular orbital calculations to describe the phase behavior of hydrogen-bonding mixtures

International Journal of Thermophysics ◽

10.1007/bf02575244 ◽

1997 ◽

Vol 18 (4) ◽

pp. 1001-1016 ◽

Author(s):

J. P. Wolbach ◽

S. I. Sandler

Keyword(s):

Hydrogen Bonding ◽

Phase Behavior ◽

Molecular Orbital ◽

Molecular Orbital Calculations

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