Study of the Hydroxyl Ion in Water. A Combined Quantum Chemical and Statistical Mechanical Treatment

Jose Manuel Hermida-Ramón; Gunnar Karlström

doi:10.1021/jp027770c

Study of the Hydroxyl Ion in Water. A Combined Quantum Chemical and Statistical Mechanical Treatment

The Journal of Physical Chemistry A ◽

10.1021/jp027770c ◽

2003 ◽

Vol 107 (26) ◽

pp. 5217-5222 ◽

Cited By ~ 10

Author(s):

Jose Manuel Hermida-Ramón ◽

Gunnar Karlström

Keyword(s):

Quantum Chemical ◽

Mechanical Treatment ◽

Hydroxyl Ion ◽

Statistical Mechanical

Download Full-text

Study of the hydronium ion in water. A combined quantum chemical and statistical mechanical treatment

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2004.10.017 ◽

2004 ◽

Vol 712 (1-3) ◽

pp. 167-173 ◽

Cited By ~ 20

Author(s):

Jose Manuel Hermida-Ramón ◽

Gunnar Karlström

Keyword(s):

Quantum Chemical ◽

Mechanical Treatment ◽

Hydronium Ion ◽

Statistical Mechanical

Download Full-text

Electronic Polarization of a Water Molecule in Water. A Combined Quantum Chemical and Statistical Mechanical Treatment

The Journal of Physical Chemistry ◽

10.1021/jp9614761 ◽

1996 ◽

Vol 100 (45) ◽

pp. 17791-17796 ◽

Cited By ~ 28

Author(s):

Nigel W. Moriarty ◽

Gunnar Karlström

Keyword(s):

Water Molecule ◽

Quantum Chemical ◽

Mechanical Treatment ◽

Electronic Polarization ◽

Statistical Mechanical

Download Full-text

Geometry optimization of a water molecule in water. A combined quantum chemical and statistical mechanical treatment

The Journal of Chemical Physics ◽

10.1063/1.473637 ◽

1997 ◽

Vol 106 (15) ◽

pp. 6470-6474 ◽

Cited By ~ 31

Author(s):

Nigel W. Moriarty ◽

Gunnar Karlström

Keyword(s):

Water Molecule ◽

Quantum Chemical ◽

Mechanical Treatment ◽

Geometry Optimization ◽

Statistical Mechanical

Download Full-text

Electric field gradient of a water molecule in water. A combined quantum chemical and statistical mechanical treatment

Chemical Physics Letters ◽

10.1016/s0009-2614(97)01072-5 ◽

1997 ◽

Vol 279 (5-6) ◽

pp. 372-376 ◽

Cited By ~ 7

Author(s):

Nigel W. Moriarty ◽

Gunnar Karlström

Keyword(s):

Water Molecule ◽

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

Quantum Chemical ◽

Mechanical Treatment ◽

Statistical Mechanical

Download Full-text

Successive approximations in the quantum-chemical and statistical-mechanical study of aqueous solutions, particularly with biomolecule solutes

Inorganica Chimica Acta ◽

10.1016/s0020-1693(00)92093-0 ◽

1980 ◽

Vol 40 ◽

pp. X40-X41

Author(s):

S. Romano

Keyword(s):

Aqueous Solutions ◽

Quantum Chemical ◽

Successive Approximations ◽

Mechanical Study ◽

Statistical Mechanical

Download Full-text

Statistical Mechanical Treatment of Adsorbed Monolayer at Electrode/Solution Interface III. The Structure of Inner Layer Formed at the Interface of Hg/(H2O+CH3OH) Solution

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb19910413 ◽

1991 ◽

Vol 7 (04) ◽

pp. 443-448

Author(s):

Su Wen-Duan ◽

◽

Zhou Shao-Min ◽

Zhou Xiao-Lin

Keyword(s):

Mechanical Treatment ◽

Adsorbed Monolayer ◽

Solution Interface ◽

Statistical Mechanical

Download Full-text

Conformational structure of 1,2-dimethoxyethane in water and other dipolar solvents, studied by quantum chemical, reaction field, and statistical mechanical techniques

The Journal of Physical Chemistry ◽

10.1021/j100269a014 ◽

1985 ◽

Vol 89 (23) ◽

pp. 4957-4962 ◽

Cited By ~ 57

Author(s):

M. Andersson ◽

G. Karlstrom

Keyword(s):

Chemical Reaction ◽

Quantum Chemical ◽

Conformational Structure ◽

Reaction Field ◽

Statistical Mechanical

Download Full-text

π* →nFluorescence Transition in Formaldehyde in Aqueous Solution: A Combined Quantum Chemical Statistical Mechanical Study

The Journal of Physical Chemistry A ◽

10.1021/jp055678l ◽

2006 ◽

Vol 110 (5) ◽

pp. 1934-1942 ◽

Cited By ~ 12

Author(s):

Anders Öhrn ◽

Gunnar Karlström

Keyword(s):

Aqueous Solution ◽

Quantum Chemical ◽

Mechanical Study ◽

Statistical Mechanical

Download Full-text

Exact statistical mechanical treatment of benzene adsorption in a zeolite twin-pore one-dimensional lattice model

Chemical Physics Letters ◽

10.1016/s0009-2614(00)00030-0 ◽

2000 ◽

Vol 318 (4-5) ◽

pp. 319-324 ◽

Cited By ~ 11

Author(s):

Zhimei Du ◽

Lawrence J. Dunne ◽

George Manos ◽

Martin F. Chaplin

Keyword(s):

Lattice Model ◽

Mechanical Treatment ◽

Benzene Adsorption ◽

Dimensional Lattice ◽

One Dimensional ◽

Statistical Mechanical

Download Full-text

Statistical-mechanical treatment of an adsorbed monolayer with local order

Journal of Electroanalytical Chemistry ◽

10.1016/0022-0728(86)80142-5 ◽

1986 ◽

Vol 197 (1-2) ◽

pp. 103-121 ◽

Cited By ~ 45

Author(s):

Rolando Guidelli ◽

Maria Luisa Foresti

Keyword(s):

Mechanical Treatment ◽

Local Order ◽

Adsorbed Monolayer ◽

Statistical Mechanical

Download Full-text