Vibrational Spectra of Methane Clathrate Hydrates from Molecular Dynamics Simulation

Jeffery A. Greathouse; Randall T. Cygan; Blake A. Simmons

doi:10.1021/jp060471t

Vibrational Spectra of Methane Clathrate Hydrates from Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/jp060471t ◽

2006 ◽

Vol 110 (13) ◽

pp. 6428-6431 ◽

Cited By ~ 43

Author(s):

Jeffery A. Greathouse ◽

Randall T. Cygan ◽

Blake A. Simmons

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Vibrational Spectra ◽

Clathrate Hydrates ◽

Dynamics Simulation ◽

Methane Clathrate

Download Full-text

Vibrational spectra and anharmonic effects in crystals studied by molecular dynamics simulation

10.1063/1.4772130 ◽

2012 ◽

Cited By ~ 1

Author(s):

E. B. Dolgusheva ◽

V. Yu. Trubitsin

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Vibrational Spectra ◽

Dynamics Simulation ◽

Anharmonic Effects

Download Full-text

Molecular dynamics simulation for studying the stability of structure H clathrate-hydrates of argon and large guest molecules

Journal of Dispersion Science and Technology ◽

10.1080/01932691.2018.1446145 ◽

2018 ◽

Vol 39 (11) ◽

pp. 1572-1581 ◽

Cited By ~ 1

Author(s):

Pourya Reshadi ◽

Hamid Modarress ◽

Bahram Dabir ◽

Sepideh Amjad-Iranagh

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Clathrate Hydrates ◽

Dynamics Simulation ◽

Guest Molecules ◽

The Stability ◽

Stability Of Structure

Download Full-text

Study of clathrate hydrates via equilibrium molecular-dynamics simulation employing polarisable and non-polarisable, rigid and flexible water models

The Journal of Chemical Physics ◽

10.1063/1.4947039 ◽

2016 ◽

Vol 144 (16) ◽

pp. 164503 ◽

Cited By ~ 18

Author(s):

Christian J. Burnham ◽

Niall J. English

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Clathrate Hydrates ◽

Dynamics Simulation ◽

Water Models

Download Full-text

Water Vacancy Driven Diffusion in Clathrate Hydrates: Molecular Dynamics Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b00853 ◽

2017 ◽

Vol 121 (15) ◽

pp. 8280-8289 ◽

Cited By ~ 10

Author(s):

Hsuan Lo ◽

Ming-Tsung Lee ◽

Shiang-Tai Lin

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Clathrate Hydrates ◽

Dynamics Simulation

Download Full-text

Molecular Dynamics Simulation of the Vibrational Spectra of Stearic Acid Monolayers at the Air/Water Interface

Langmuir ◽

10.1021/la9808723 ◽

1999 ◽

Vol 15 (10) ◽

pp. 3589-3594 ◽

Cited By ~ 9

Author(s):

Emiko Okamura ◽

Nobuhiro Fukushima ◽

Soichi Hayashi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Stearic Acid ◽

Vibrational Spectra ◽

Dynamics Simulation ◽

Water Interface ◽

Air Water Interface

Download Full-text

Molecular Dynamics Simulation of Structure II Clathrate Hydrates of Xenon and Large Hydrocarbon Guest Molecules

Journal of Cluster Science ◽

10.1007/s10876-011-0358-6 ◽

2011 ◽

Vol 22 (1) ◽

pp. 11-30 ◽

Cited By ~ 2

Author(s):

H. Erfan Niya ◽

H. Modarress ◽

E. Zaminpayma

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Clathrate Hydrates ◽

Dynamics Simulation ◽

Guest Molecules

Download Full-text

Molecular dynamics simulation of structure H clathrate-hydrates of binary guest molecules

Journal of Natural Gas Chemistry ◽

10.1016/s1003-9953(10)60242-3 ◽

2011 ◽

Vol 20 (6) ◽

pp. 577-584 ◽

Cited By ~ 5

Author(s):

Hamid Erfan-Niya ◽

Hamid Modarress

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Clathrate Hydrates ◽

Dynamics Simulation ◽

Guest Molecules

Download Full-text

Molecular structure and vibrational spectra at water/poly(2-methoxyethylacrylate) and water/poly(methyl methacrylate) interfaces: A molecular dynamics simulation study

The Journal of Chemical Physics ◽

10.1063/1.5074144 ◽

2019 ◽

Vol 150 (4) ◽

pp. 044707 ◽

Cited By ~ 5

Author(s):

Sho Kishinaka ◽

Akihiro Morita ◽

Tatsuya Ishiyama

Keyword(s):

Molecular Structure ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Methyl Methacrylate ◽

Simulation Study ◽

Vibrational Spectra ◽

Dynamics Simulation ◽

Poly Methyl Methacrylate

Download Full-text

Molecular Dynamics Simulation with the Charge Response Kernel: Vibrational Spectra of Liquid Water andN-Methylacetamide in Aqueous Solution

The Journal of Physical Chemistry B ◽

10.1021/jp013773y ◽

2002 ◽

Vol 106 (13) ◽

pp. 3466-3476 ◽

Cited By ~ 46

Author(s):

Satoru Iuchi ◽

Akihiro Morita ◽

Shigeki Kato

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Vibrational Spectra ◽

Liquid Water ◽

Dynamics Simulation

Download Full-text

Massively-Parallel Molecular Dynamics Simulation of Clathrate Hydrates on Blue Gene Platforms

Energies ◽

10.3390/en6063072 ◽

2013 ◽

Vol 6 (6) ◽

pp. 3072-3081 ◽

Cited By ~ 10

Author(s):

Niall English

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Clathrate Hydrates ◽

Dynamics Simulation ◽

Massively Parallel ◽

Parallel Molecular Dynamics ◽

Blue Gene

Download Full-text