Can imaginary instantaneous normal mode frequencies predict barriers to self-diffusion?

J. Daniel Gezelter; Eran Rabani; B. J. Berne

doi:10.1063/1.474822

Can imaginary instantaneous normal mode frequencies predict barriers to self-diffusion?

The Journal of Chemical Physics ◽

10.1063/1.474822 ◽

1997 ◽

Vol 107 (12) ◽

pp. 4618-4627 ◽

Cited By ~ 73

Author(s):

J. Daniel Gezelter ◽

Eran Rabani ◽

B. J. Berne

Keyword(s):

Normal Mode ◽

Self Diffusion ◽

Instantaneous Normal Mode

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Comment on a critique of the instantaneous normal mode (INM) approach to diffusion [J. Chem. Phys. 107, 4618 (1997)]

The Journal of Chemical Physics ◽

10.1063/1.477080 ◽

1998 ◽

Vol 109 (11) ◽

pp. 4693-4694 ◽

Cited By ~ 14

Author(s):

T. Keyes ◽

Wu-Xiong Li ◽

U. Zurcher

Keyword(s):

Normal Mode ◽

Chem Phys ◽

Instantaneous Normal Mode

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Extensions to the instantaneous normal mode analysis of cluster dynamics: Diffusion constants and the role of rotations in clusters

The Journal of Chemical Physics ◽

10.1063/1.459091 ◽

1990 ◽

Vol 93 (3) ◽

pp. 1632-1640 ◽

Cited By ~ 40

Author(s):

John E. Adams ◽

Richard M. Stratt

Keyword(s):

Normal Mode ◽

Normal Mode Analysis ◽

Mode Analysis ◽

Diffusion Constants ◽

Instantaneous Normal Mode

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Instantaneous normal mode analysis as a probe of cluster dynamics

The Journal of Chemical Physics ◽

10.1063/1.459145 ◽

1990 ◽

Vol 93 (2) ◽

pp. 1332-1346 ◽

Cited By ~ 75

Author(s):

John E. Adams ◽

Richard M. Stratt

Keyword(s):

Normal Mode ◽

Normal Mode Analysis ◽

Mode Analysis ◽

Instantaneous Normal Mode

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The instantaneous normal mode spectrum of a liquid undergoing shear flow

The Journal of Chemical Physics ◽

10.1063/1.479824 ◽

1999 ◽

Vol 111 (20) ◽

pp. 9137-9139 ◽

Cited By ~ 1

Author(s):

Daniel J. Lacks

Keyword(s):

Shear Flow ◽

Normal Mode ◽

Mode Spectrum ◽

Instantaneous Normal Mode

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Extracting the Energy Barrier Distribution of a Disordered System from the Instantaneous Normal Mode Density of States: Applications to Peptides and Proteins

The Journal of Physical Chemistry ◽

10.1021/j100093a046 ◽

1994 ◽

Vol 98 (42) ◽

pp. 10978-10987 ◽

Cited By ~ 23

Author(s):

John E. Straub ◽

Ji-Kyung Choi

Keyword(s):

Normal Mode ◽

Density Of States ◽

Energy Barrier ◽

Disordered System ◽

Instantaneous Normal Mode ◽

Barrier Distribution

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Controlling nonpolar solvation time scales: An instantaneous normal mode viewpoint

The Journal of Chemical Physics ◽

10.1063/1.475285 ◽

1997 ◽

Vol 107 (23) ◽

pp. 9878-9889 ◽

Cited By ~ 3

Author(s):

T. S. Kalbfleisch ◽

L. D. Ziegler

Keyword(s):

Normal Mode ◽

Time Scales ◽

Instantaneous Normal Mode ◽

Nonpolar Solvation

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Local Structural Effects on Intermolecular Vibrations in Liquid Water: The Instantaneous-Normal-Mode Analysis

10.1063/1.2897830 ◽

2008 ◽

Author(s):

K. H. Tsai ◽

Ten-Ming Wu ◽

Michio Tokuyama ◽

Irwin Oppenheim ◽

Hideya Nishiyama

Keyword(s):

Normal Mode ◽

Liquid Water ◽

Normal Mode Analysis ◽

Mode Analysis ◽

Structural Effects ◽

Instantaneous Normal Mode ◽

Intermolecular Vibrations

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Molecular Dynamics Simulations and Instantaneous Normal-Mode Analysis of the Vibrational Relaxation of the C−H Stretching Modes ofN-methylacetamide-din Liquid Deuterated Water

The Journal of Physical Chemistry A ◽

10.1021/jp106998h ◽

2010 ◽

Vol 114 (43) ◽

pp. 11450-11461 ◽

Cited By ~ 14

Author(s):

Adolfo Bastida ◽

Miguel A. Soler ◽

José Zúñiga ◽

Alberto Requena ◽

Adrián Kalstein ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Normal Mode ◽

Vibrational Relaxation ◽

Normal Mode Analysis ◽

Mode Analysis ◽

Deuterated Water ◽

Instantaneous Normal Mode ◽

Dynamics Simulations

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Molecular coordinates for instantaneous normal mode calculations. I. Coordinate dependence

The Journal of Chemical Physics ◽

10.1063/1.479048 ◽

1999 ◽

Vol 110 (21) ◽

pp. 10410-10422 ◽

Cited By ~ 21

Author(s):

Robert L. Murry ◽

John T. Fourkas ◽

Wu-Xiong Li ◽

Tom Keyes

Keyword(s):

Normal Mode ◽

Coordinate Dependence ◽

Instantaneous Normal Mode ◽

Normal Mode Calculations

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Instantaneous normal mode theory of diffusion and the potential energy landscape: Application to supercooled liquid CS2

The Journal of Chemical Physics ◽

10.1063/1.479810 ◽

1999 ◽

Vol 111 (12) ◽

pp. 5503-5513 ◽

Cited By ~ 28

Author(s):

Wu-Xiong Li ◽

T. Keyes

Keyword(s):

Potential Energy ◽

Normal Mode ◽

Energy Landscape ◽

Supercooled Liquid ◽

Mode Theory ◽

Potential Energy Landscape ◽

Instantaneous Normal Mode ◽

Normal Mode Theory

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