Molecular dynamics simulation of vibrational energy relaxation of highly excited molecules in fluids. III. Equilibrium simulations of vibrational energy relaxation of azulene in carbon dioxide

C. Heidelbach; V. S. Vikhrenko; D. Schwarzer; I. I. Fedchenia; J. Schroeder

doi:10.1063/1.480135

Molecular dynamics simulation of vibrational energy relaxation of highly excited molecules in fluids. III. Equilibrium simulations of vibrational energy relaxation of azulene in carbon dioxide

The Journal of Chemical Physics ◽

10.1063/1.480135 ◽

1999 ◽

Vol 111 (17) ◽

pp. 8022-8033 ◽

Cited By ~ 7

Author(s):

C. Heidelbach ◽

V. S. Vikhrenko ◽

D. Schwarzer ◽

I. I. Fedchenia ◽

J. Schroeder

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Vibrational Energy ◽

Energy Relaxation ◽

Dynamics Simulation ◽

Vibrational Energy Relaxation ◽

Excited Molecules

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Molecular dynamics simulation of vibrational energy relaxation of highly excited molecules in fluids. I. General considerations

The Journal of Chemical Physics ◽

10.1063/1.478422 ◽

1999 ◽

Vol 110 (11) ◽

pp. 5273-5285 ◽

Cited By ~ 16

Author(s):

V. S. Vikhrenko ◽

C. Heidelbach ◽

D. Schwarzer ◽

V. B. Nemtsov ◽

J. Schroeder

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Vibrational Energy ◽

Energy Relaxation ◽

Dynamics Simulation ◽

Vibrational Energy Relaxation ◽

Excited Molecules

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Vibrational Energy Relaxation in Liquid Oxygen from a Semiclassical Molecular Dynamics Simulation

The Journal of Physical Chemistry A ◽

10.1021/jp0304982 ◽

2003 ◽

Vol 107 (43) ◽

pp. 9070-9078 ◽

Cited By ~ 66

Author(s):

Qiang Shi ◽

Eitan Geva

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Vibrational Energy ◽

Energy Relaxation ◽

Dynamics Simulation ◽

Liquid Oxygen ◽

Vibrational Energy Relaxation

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Molecular dynamics simulation of hydrogen isotope-terminated silicon(111) and (110) surfaces: calculation of vibrational energy relaxation rates of hydrogen isotope stretching modes

Chemical Physics Letters ◽

10.1016/s0009-2614(00)00012-9 ◽

2000 ◽

Vol 318 (1-3) ◽

pp. 7-14 ◽

Cited By ~ 6

Author(s):

Ying-Chieh Sun ◽

Hsiu-Feng Lu ◽

Ming-Shun Ho

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Hydrogen Isotope ◽

Vibrational Energy ◽

Energy Relaxation ◽

Dynamics Simulation ◽

Relaxation Rates ◽

Vibrational Energy Relaxation

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Dielectric response and vibrational energy relaxation in photoactive yellow protein: A molecular dynamics simulation study

Chemical Physics Letters ◽

10.1016/j.cplett.2011.09.066 ◽

2011 ◽

Vol 516 (1-3) ◽

pp. 102-105 ◽

Cited By ~ 5

Author(s):

Ramachandran Gnanasekaran ◽

David M. Leitner

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dielectric Response ◽

Vibrational Energy ◽

Protein A ◽

Energy Relaxation ◽

Dynamics Simulation ◽

Photoactive Yellow Protein ◽

Vibrational Energy Relaxation

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Hydrogen bonding and vibrational energy relaxation of interfacial water: A full DFT molecular dynamics simulation

The Journal of Chemical Physics ◽

10.1063/1.4995437 ◽

2017 ◽

Vol 147 (4) ◽

pp. 044707 ◽

Cited By ~ 10

Author(s):

Jonggu Jeon ◽

Cho-Shuen Hsieh ◽

Yuki Nagata ◽

Mischa Bonn ◽

Minhaeng Cho

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bonding ◽

Molecular Dynamics Simulation ◽

Vibrational Energy ◽

Energy Relaxation ◽

Dynamics Simulation ◽

Interfacial Water ◽

Vibrational Energy Relaxation

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Molecular Dynamics Simulation of the Vibrational Energy Relaxation of I2 in Nano-confined Argon Solution

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb20080821 ◽

2008 ◽

Vol 24 (08) ◽

pp. 1451-1458

Author(s):

MAO Rong-Rong ◽

◽

LV Yang ◽

ZHOU Li-Chuan ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Vibrational Energy ◽

Energy Relaxation ◽

Dynamics Simulation ◽

Vibrational Energy Relaxation

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Molecular dynamics simulation of hydrogen-covered reconstructed Si():H-2×1 silicon surface: calculation of vibrational energy relaxation rates of hydrogen stretching modes

Surface Science ◽

10.1016/s0039-6028(02)02023-x ◽

2002 ◽

Vol 516 (3) ◽

pp. L540-L546 ◽

Cited By ~ 2

Author(s):

Ming-Hsun Ho ◽

Ying-Chieh Sun

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Silicon Surface ◽

Vibrational Energy ◽

Energy Relaxation ◽

Dynamics Simulation ◽

Relaxation Rates ◽

Vibrational Energy Relaxation ◽

Surface Calculation

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Ab Initio Molecular Dynamics Simulation of Vibrational Energy Relaxation at the Solid/Liquid Interface

High Performance Computing in Science and Engineering '20 ◽

10.1007/978-3-030-80602-6_6 ◽

2021 ◽

pp. 87-99

Author(s):

Dominika Lesnicki ◽

Marialore Sulpizi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Vibrational Energy ◽

Liquid Interface ◽

Dynamics Simulation ◽

Ab Initio Molecular Dynamics ◽

Vibrational Energy Relaxation ◽

Solid Liquid Interface ◽

Solid Liquid

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Determination of vibrational energy relaxation rates of C–H,D,T stretching modes on hydrogen, deuterium, and tritium-terminated H,D,T/C(111) and H,D,T/C(110) diamond surfaces using molecular dynamics simulation: Thermal effect

The Journal of Chemical Physics ◽

10.1063/1.477351 ◽

1998 ◽

Vol 109 (16) ◽

pp. 6898-6904 ◽

Cited By ~ 4

Author(s):

Hsiu-Feng Lu ◽

Ming-Shun Ho ◽

Sho-Ching Hong ◽

Ai-Hsin Liu ◽

Pei-Fang Wu ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Thermal Effect ◽

Vibrational Energy ◽

Dynamics Simulation ◽

Relaxation Rates ◽

Vibrational Energy Relaxation ◽

Diamond Surfaces ◽

Hydrogen Deuterium

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Molecular dynamics simulation of carbon dioxide in single-walled carbon nanotubes in the presence of water: structure and diffusion studies

Molecular Physics ◽

10.1080/00268976.2015.1005190 ◽

2015 ◽

Vol 113 (9-10) ◽

pp. 1124-1136 ◽

Cited By ~ 15

Author(s):

Martin Svoboda ◽

John K. Brennan ◽

Martin Lísal

Keyword(s):

Carbon Dioxide ◽

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Water Structure ◽

Single Walled Carbon Nanotubes ◽

Dynamics Simulation ◽

Diffusion Studies ◽

Walled Carbon Nanotubes ◽

And Diffusion

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