Molecular dynamics simulation of inelastic neutron scattering spectra of librational modes of water molecules in a layered aluminophosphate

Mapping Intimacies ◽

10.1063/1.59466 ◽

1999 ◽

Author(s):

A. J. Ramirez-Cuesta ◽

P. C. H. Mitchell ◽

S. F. Parker ◽

A. P. Wilkinson ◽

P. Mark Rodger

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

Dynamics Simulation ◽

Water Molecules ◽

Scattering Spectra

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Dynamics of water molecules in a templated aluminophosphate: molecular dynamics simulation of inelastic neutron scattering spectra

Chemical Communications ◽

10.1039/a807575a ◽

1998 ◽

pp. 2653-2654 ◽

Cited By ~ 4

Author(s):

A. J. Ramirez-Cuesta ◽

P. C. H. Mitchell ◽

P. Mark Rodger ◽

A. J. Ramirez-Cuesta ◽

A. P. Wilkinson ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

Dynamics Simulation ◽

Water Molecules ◽

Scattering Spectra

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Molecular dynamics simulation of inelastic neutron scattering spectra of Copper Azurin hydration water

10.1063/1.59459 ◽

1999 ◽

Author(s):

Alessandro Paciaroni ◽

Anna Rita Bizzarri ◽

Salvatore Cannistraro

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

Dynamics Simulation ◽

Hydration Water ◽

Scattering Spectra

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Influence of pressure on the low-frequency vibrational modes of lysozyme and water: A complementary inelastic neutron scattering and molecular dynamics simulation study

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.24189 ◽

2012 ◽

Vol 81 (2) ◽

pp. 326-340 ◽

Cited By ~ 22

Author(s):

Adrien Lerbret ◽

Alain Hédoux ◽

Burkhard Annighöfer ◽

Marie-Claire Bellissent-Funel

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Neutron Scattering ◽

Simulation Study ◽

Inelastic Neutron Scattering ◽

Low Frequency ◽

Inelastic Neutron ◽

Dynamics Simulation ◽

Vibrational Modes

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Orientational and translational correlations of liquid methane over the nanometer-picosecond scales by molecular dynamics simulation and inelastic neutron scattering

The Journal of Chemical Physics ◽

10.1063/1.3653477 ◽

2011 ◽

Vol 135 (15) ◽

pp. 154508 ◽

Cited By ~ 1

Author(s):

M. Sampoli ◽

E. Guarini ◽

U. Bafile ◽

F. Barocchi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

Dynamics Simulation ◽

Liquid Methane

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How Strongly Does Trehalose Interact with Lysozyme in the Solid State? Insights from Molecular Dynamics Simulation and Inelastic Neutron Scattering

The Journal of Physical Chemistry B ◽

10.1021/jp3058096 ◽

2012 ◽

Vol 116 (36) ◽

pp. 11103-11116 ◽

Cited By ~ 37

Author(s):

Adrien Lerbret ◽

Frédéric Affouard ◽

Alain Hédoux ◽

Stefanie Krenzlin ◽

Jürgen Siepmann ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Solid State ◽

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

Dynamics Simulation

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Molecular dynamics simulation and inelastic neutron scattering

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(92)80068-8 ◽

1992 ◽

Vol 48 (3) ◽

pp. 455-476 ◽

Cited By ~ 10

Author(s):

Frans R. Trouw

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

Dynamics Simulation

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High-energy oxygen phonon modes and superconductivity inBa1−xKxBiO3: An inelastic-neutron-scattering experiment and molecular-dynamics simulation

Physical Review Letters ◽

10.1103/physrevlett.62.2628 ◽

1989 ◽

Vol 62 (22) ◽

pp. 2628-2631 ◽

Cited By ~ 92

Author(s):

C.-K. Loong ◽

P. Vashishta ◽

R. K. Kalia ◽

M. H. Degani ◽

D. L. Price ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

High Energy ◽

Inelastic Neutron ◽

Dynamics Simulation ◽

Phonon Modes ◽

Scattering Experiment ◽

Neutron Scattering Experiment

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Inelastic neutron scattering by benzene: Direct spectral analysis using molecular dynamics simulation

Physica B+C ◽

10.1016/0378-4363(86)90401-8 ◽

1986 ◽

Vol 136 (1-3) ◽

pp. 172-176

Author(s):

J Anderson

Keyword(s):

Molecular Dynamics ◽

Spectral Analysis ◽

Molecular Dynamics Simulation ◽

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

Dynamics Simulation

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Simulation of Inelastic Neutron Scattering Spectra Directly from Molecular Dynamics Trajectories

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.0c00937 ◽

2020 ◽

Vol 16 (12) ◽

pp. 7702-7708

Author(s):

Y. Q. Cheng ◽

A. I. Kolesnikov ◽

A. J. Ramirez-Cuesta

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

Scattering Spectra

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Dynamics of water and template molecules in the interlayer space of a layered aluminophosphate. Experimental inelastic neutron scattering spectra and molecular dynamics simulated spectra

Physical Chemistry Chemical Physics ◽

10.1039/a907298e ◽

1999 ◽

Vol 1 (24) ◽

pp. 5711-5715 ◽

Cited By ~ 6

Author(s):

Anibal J. Ramirez-Cuesta ◽

Philip C. H. Mitchell ◽

Stewart Parker ◽

P. Mark Rodger

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Interlayer Space ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

Scattering Spectra

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