Theoretical and Computational Approaches to Interface Phenomena
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Published By Springer US

9781489913210, 9781489913197

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Diffusion Mechanisms of Flexible Molecules on Metallic Surfaces

Theoretical and Computational Approaches to Interface Phenomena ◽

10.1007/978-1-4899-1319-7_6 ◽

1994 ◽

pp. 119-129

Author(s):

Marvin Silverberg

Keyword(s):

Metallic Surfaces ◽

Flexible Molecules ◽

Diffusion Mechanisms

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Domains and Superlattices in Self-Assembled Monolayers of Long-Chain Molecules

Theoretical and Computational Approaches to Interface Phenomena ◽

10.1007/978-1-4899-1319-7_9 ◽

1994 ◽

pp. 149-159

Author(s):

Joseph Hautman ◽

Michael L. Klein

Keyword(s):

Self Assembled Monolayers ◽

Chain Molecules ◽

Assembled Monolayers ◽

Self Assembled ◽

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Catalysis Modeling Employing Ab Initio and Bond Order Conservation-Morse Potential Methods

Theoretical and Computational Approaches to Interface Phenomena ◽

10.1007/978-1-4899-1319-7_2 ◽

1994 ◽

pp. 35-56 ◽

Author(s):

Harrell Sellers

Keyword(s):

Ab Initio ◽

Morse Potential ◽

Potential Methods

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Density Functional Description of Metal-Metal and Metal-Ligand Bonds

Theoretical and Computational Approaches to Interface Phenomena ◽

10.1007/978-1-4899-1319-7_11 ◽

1994 ◽

pp. 187-218 ◽

Author(s):

D. R. Salahub ◽

M. Castro ◽

R. Fournier ◽

P. Calaminici ◽

N. Godbout ◽

...

Keyword(s):

Density Functional ◽

Functional Description ◽

Metal Metal ◽

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Manipulating Wetting and Ordering at Interfaces by Adsorption of Impurities

Theoretical and Computational Approaches to Interface Phenomena ◽

10.1007/978-1-4899-1319-7_10 ◽

1994 ◽

pp. 161-185

Author(s):

Donald J. Olbris ◽

Yitzhak Shnidman

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Density Functional Studies of Boron Substituted Zeolite ZSM-5

Theoretical and Computational Approaches to Interface Phenomena ◽

10.1007/978-1-4899-1319-7_12 ◽

1994 ◽

pp. 219-243 ◽

Author(s):

Mark S. Stave ◽

John B. Nicholas

Keyword(s):

Density Functional ◽

Functional Studies

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Computer Simulation of Solvation in Supercritical Fluids

Theoretical and Computational Approaches to Interface Phenomena ◽

10.1007/978-1-4899-1319-7_7 ◽

1994 ◽

pp. 131-137

Author(s):

Gregory S. Anderson ◽

Kristen M. Hegvik ◽

Mark R. Hoffmann

Keyword(s):

Computer Simulation ◽

Supercritical Fluids

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Reaction Path Approach to Dynamics at a Gas-Solid Interface: Quantum Tunneling Effects for an Adatom on a non-rigid Metallic Surface

Theoretical and Computational Approaches to Interface Phenomena ◽

10.1007/978-1-4899-1319-7_1 ◽

1994 ◽

pp. 1-34 ◽

Author(s):

Steven E. Wonchoba ◽

Wei-Ping Hu ◽

Donald G. Truhlar

Keyword(s):

Quantum Tunneling ◽

Reaction Path ◽

Metallic Surface ◽

Solid Interface

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Molecular Dynamics Computer Simulations of Aqueous Solution/Platinum Interface

Theoretical and Computational Approaches to Interface Phenomena ◽

10.1007/978-1-4899-1319-7_5 ◽

1994 ◽

pp. 101-118 ◽

Author(s):

Max L. Berkowitz ◽

Lalith Perera

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Computer Simulations

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Structure-Function Modeling in Blood Coagulation: Interfaces, Biology and Chemistry

Theoretical and Computational Approaches to Interface Phenomena ◽

10.1007/978-1-4899-1319-7_8 ◽

1994 ◽

pp. 139-148

Author(s):

Michael N. Liebman

Keyword(s):

Structure Function ◽

Blood Coagulation

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