Quantum cluster equilibrium theory of liquids: Freezing of QCE/3-21G water to tetrakaidecahedral “Bucky-ice”

R. Ludwig; F. Weinhold

doi:10.1063/1.478136

Quantum cluster equilibrium theory of liquids: Freezing of QCE/3-21G water to tetrakaidecahedral “Bucky-ice”

The Journal of Chemical Physics ◽

10.1063/1.478136 ◽

1999 ◽

Vol 110 (1) ◽

pp. 508-515 ◽

Cited By ~ 57

Author(s):

R. Ludwig ◽

F. Weinhold

Keyword(s):

Equilibrium Theory ◽

Theory Of Liquids ◽

Quantum Cluster

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Quantum Cluster Equilibrium Theory of Liquids: Temperature Dependence of Hydrogen Bonding in LiquidN-Methylacetamide Studied by IR Spectra

The Journal of Physical Chemistry B ◽

10.1021/jp971575u ◽

1998 ◽

Vol 102 (46) ◽

pp. 9312-9318 ◽

Cited By ~ 73

Author(s):

R. Ludwig ◽

O. Reis ◽

R. Winter ◽

F. Weinhold ◽

T. C. Farrar

Keyword(s):

Hydrogen Bonding ◽

Ir Spectra ◽

Temperature Dependence ◽

Equilibrium Theory ◽

Theory Of Liquids ◽

Quantum Cluster

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Quantum cluster equilibrium theory of liquids part I: Molecular clusters and thermodynamics of liquid ammonia

Berichte der Bunsengesellschaft für physikalische Chemie ◽

10.1002/bbpc.19981020210 ◽

1998 ◽

Vol 102 (2) ◽

pp. 197-204 ◽

Cited By ~ 20

Author(s):

R. Ludwig ◽

F. Weinhold ◽

T. C. Farrar

Keyword(s):

Liquid Ammonia ◽

Molecular Clusters ◽

Equilibrium Theory ◽

Theory Of Liquids ◽

Quantum Cluster

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Quantum cluster equilibrium theory of liquids: temperature dependent chemical shifts, quadrupole coupling constants and vibrational frequencies in liquid ethanol

Molecular Physics ◽

10.1080/00268979909482848 ◽

1999 ◽

Vol 97 (4) ◽

pp. 479-486 ◽

Cited By ~ 36

Author(s):

R. LUDWIG ◽

F. WEINHOLD ◽

T. C. FARRAR

Keyword(s):

Chemical Shifts ◽

Vibrational Frequencies ◽

Equilibrium Theory ◽

Coupling Constants ◽

Temperature Dependent ◽

Quadrupole Coupling ◽

Theory Of Liquids ◽

Quantum Cluster

Download Full-text

Quantum cluster equilibrium theory of liquids: molecular clusters and thermodynamics of liquid ethanol

Molecular Physics ◽

10.1080/00268979909482847 ◽

1999 ◽

Vol 97 (4) ◽

pp. 465-477 ◽

Cited By ~ 58

Author(s):

R. LUDWIG ◽

F. WEINHOLD ◽

T. C. FARRAR

Keyword(s):

Molecular Clusters ◽

Equilibrium Theory ◽

Theory Of Liquids ◽

Quantum Cluster

Download Full-text

Quantum cluster equilibrium theory of liquids: molecular clusters and thermodynamics of liquid ethanol

Molecular Physics ◽

10.1080/002689799163578 ◽

1999 ◽

Vol 97 (4) ◽

pp. 465-477 ◽

Cited By ~ 1

Author(s):

R. LUDWIG, F. WEINHOLD, T. C. FARRAR

Keyword(s):

Molecular Clusters ◽

Equilibrium Theory ◽

Theory Of Liquids ◽

Quantum Cluster

Download Full-text

Quantum cluster equilibrium theory of liquids: temperature dependent chemical shifts, quadrupole coupling constants and vibrational frequencies in liquid ethanol

Molecular Physics ◽

10.1080/002689799163587 ◽

1999 ◽

Vol 97 (4) ◽

pp. 479-486 ◽

Cited By ~ 1

Author(s):

R. LUDWIG, F. WEINHOLD, T. C. FARRAR

Keyword(s):

Chemical Shifts ◽

Vibrational Frequencies ◽

Equilibrium Theory ◽

Coupling Constants ◽

Temperature Dependent ◽

Quadrupole Coupling ◽

Theory Of Liquids ◽

Quantum Cluster

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Quantum cluster equilibrium theory of liquids: light and heavy QCE/3-21G model water

Physical Chemistry Chemical Physics ◽

10.1039/a908690k ◽

2000 ◽

Vol 2 (8) ◽

pp. 1613-1619 ◽

Cited By ~ 21

Author(s):

R. Ludwig ◽

F. Weinhold

Keyword(s):

Equilibrium Theory ◽

Theory Of Liquids ◽

Quantum Cluster ◽

Model Water

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Quantum cluster equilibrium theory of liquids: Illustrative application to water

The Journal of Chemical Physics ◽

10.1063/1.476574 ◽

1998 ◽

Vol 109 (2) ◽

pp. 373-384 ◽

Cited By ~ 76

Author(s):

F. Weinhold

Keyword(s):

Equilibrium Theory ◽

Theory Of Liquids ◽

Quantum Cluster ◽

Illustrative Application

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Quantum cluster equilibrium theory of liquids: General theory and computer implementation

The Journal of Chemical Physics ◽

10.1063/1.476573 ◽

1998 ◽

Vol 109 (2) ◽

pp. 367-372 ◽

Cited By ~ 98

Author(s):

F. Weinhold

Keyword(s):

General Theory ◽

Equilibrium Theory ◽

Computer Implementation ◽

Theory Of Liquids ◽

Quantum Cluster

Download Full-text

Quantum cluster equilibrium theory of liquids part II: Temperature dependent chemical shifts, quadrupole coupling constants and vibrational frequencies in liquid ammonia

Berichte der Bunsengesellschaft für physikalische Chemie ◽

10.1002/bbpc.19981020211 ◽

1998 ◽

Vol 102 (2) ◽

pp. 205-212 ◽

Cited By ~ 20

Author(s):

R. Ludwig ◽

F. Weinhold ◽

T. C. Farrar

Keyword(s):

Liquid Ammonia ◽

Chemical Shifts ◽

Vibrational Frequencies ◽

Equilibrium Theory ◽

Coupling Constants ◽

Temperature Dependent ◽

Quadrupole Coupling ◽

Theory Of Liquids ◽

Quantum Cluster

Download Full-text