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

Hydrogen Isotope ◽

Vibrational Energy ◽

Energy Relaxation ◽

Dynamics Simulation ◽

Relaxation Rates ◽

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 ◽

Silicon Surface ◽

Vibrational Energy ◽

Energy Relaxation ◽

Dynamics Simulation ◽

Relaxation Rates ◽

Surface Calculation

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

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 ◽

Vibrational Energy ◽

Energy Relaxation ◽

Dynamics Simulation ◽

Excited Molecules

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 ◽

Vibrational Energy ◽

Energy Relaxation ◽

Dynamics Simulation ◽

Liquid Oxygen ◽

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

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 ◽

Vibrational Energy ◽

Energy Relaxation ◽

Dynamics Simulation ◽

Excited Molecules

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 ◽

Simulation Study ◽

Dielectric Response ◽

Vibrational Energy ◽

Protein A ◽

Energy Relaxation ◽

Dynamics Simulation ◽

Photoactive Yellow Protein ◽

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

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 ◽

Vibrational Energy ◽

Energy Relaxation ◽

Dynamics Simulation ◽

Interfacial Water ◽

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 ◽

Vibrational Energy ◽

Energy Relaxation ◽

Dynamics Simulation ◽

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

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 ◽

Thermal Effect ◽

Vibrational Energy ◽

Dynamics Simulation ◽

Relaxation Rates ◽

Diamond Surfaces ◽

Hydrogen Deuterium

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 ◽

Ab Initio ◽

Vibrational Energy ◽

Liquid Interface ◽

Dynamics Simulation ◽

Ab Initio Molecular Dynamics ◽

Solid Liquid Interface ◽

Solid Liquid

Molecular dynamics simulation of NMR relaxation rates and slow dynamics in lipid bilayers

10.1063/1.1389469 ◽

2001 ◽

Vol 115 (10) ◽

pp. 4938-4950 ◽

Cited By ~ 87

Author(s):

Erik Lindahl ◽

Olle Edholm

Keyword(s):

Molecular Dynamics ◽

Lipid Bilayers ◽

Nmr Relaxation ◽

Dynamics Simulation ◽

Relaxation Rates ◽

Slow Dynamics