Structure and dynamics of water plastic crystals from computer simulations

The Journal of Chemical Physics ◽

10.1063/5.0038762 ◽

2021 ◽

Vol 154 (10) ◽

pp. 104501

Author(s):

Andrés Henao ◽

Jorge Mario Salazar-Rios ◽

Elvira Guardia ◽

Luis C. Pardo

Keyword(s):

Computer Simulations ◽

Plastic Crystals ◽

Structure And Dynamics

Download Full-text

Molecular Structure and Dynamics of Nano-Confined Water: Computer Simulations of Aqueous Species in Clay, Cement, and Polymer Membranes

Transport and Reactivity of Solutions in Confined Hydrosystems - NATO Science for Peace and Security Series C: Environmental Security ◽

10.1007/978-94-007-7534-3_9 ◽

2013 ◽

pp. 103-115 ◽

Author(s):

Andrey G. Kalinichev

Keyword(s):

Molecular Structure ◽

Computer Simulations ◽

Polymer Membranes ◽

Confined Water ◽

Structure And Dynamics ◽

Aqueous Species

Download Full-text

Computer simulations of biomolecular structure and dynamics using a vibrational empirical potential energy function

Fifth International Conference on the Spectroscopy of Biological Molecules ◽

10.1007/978-94-011-1934-4_1 ◽

1993 ◽

pp. 3-6

Author(s):

P. Derreumaux ◽

G. Vergoten

Keyword(s):

Potential Energy ◽

Computer Simulations ◽

Energy Function ◽

Potential Energy Function ◽

Biomolecular Structure ◽

Empirical Potential ◽

Structure And Dynamics

Download Full-text

121. The three-dimensional structure and dynamics of trehalose transporter TRET1 in Polypedilum vandeplanki—as revealed by computer simulations

Cryobiology ◽

10.1016/j.cryobiol.2009.10.135 ◽

2009 ◽

Vol 59 (3) ◽

pp. 404

Author(s):

Taku Okawa ◽

Takahiro Kikawada ◽

Takashi Okuda ◽

Minoru Sakurai

Keyword(s):

Computer Simulations ◽

Three Dimensional ◽

Dimensional Structure ◽

Three Dimensional Structure ◽

Structure And Dynamics

Download Full-text

Computer simulations for the structure and dynamics of large molecules, clusters and solids

High-Performance Computing and Networking - Lecture Notes in Computer Science ◽

10.1007/3-540-61142-8_575 ◽

1996 ◽

pp. 393-401

Author(s):

G. Seifert ◽

Th. Heine ◽

O. Knospe ◽

R. Schmidt

Keyword(s):

Computer Simulations ◽

Large Molecules ◽

Structure And Dynamics

Download Full-text

Structure and dynamics of Antarctic fish neuroglobin assessed by computer simulations

10.1002/iub.444 ◽

2011 ◽

Vol 63 (3) ◽

pp. 206-213 ◽

Author(s):

Ignacio Boron ◽

Roberta Russo ◽

Leonardo Boechi ◽

C.-H. Christina Cheng ◽

Guido di Prisco ◽

...

Keyword(s):

Computer Simulations ◽

Antarctic Fish ◽

Structure And Dynamics

Download Full-text

Computer Simulations of Membrane Protein Folding: Structure and Dynamics

Biophysical Journal ◽

10.1016/s0006-3495(03)74998-4 ◽

2003 ◽

Vol 84 (3) ◽

pp. 1902-1908 ◽

Author(s):

C.-M. Chen ◽

C.-C. Chen

Keyword(s):

Protein Folding ◽

Membrane Protein ◽

Computer Simulations ◽

Membrane Protein Folding ◽

Structure And Dynamics ◽

Folding Structure

Download Full-text

Microscopic structure and dynamics of air/water interface by computer simulations—comparison with sum-frequency generation experiments

Physical Chemistry Chemical Physics ◽

10.1039/c0cp02745f ◽

2011 ◽

Vol 13 (12) ◽

pp. 5388 ◽

Author(s):

Yanting Wang ◽

Nathan O. Hodas ◽

Yousung Jung ◽

R. A. Marcus

Keyword(s):

Computer Simulations ◽

Sum Frequency Generation ◽

Microscopic Structure ◽

Water Interface ◽

Sum Frequency ◽

Structure And Dynamics ◽

Air Water Interface ◽

Frequency Generation

Download Full-text

Structure and dynamics of amorphous polymers: computer simulations compared to experiment and theory

Reports on Progress in Physics ◽

10.1088/0034-4885/67/7/r03 ◽

2004 ◽

Vol 67 (7) ◽

pp. 1117-1185 ◽

Author(s):

Wolfgang Paul ◽

Grant D Smith

Keyword(s):

Computer Simulations ◽

Amorphous Polymers ◽

Structure And Dynamics

Download Full-text

Using Computer Simulations To Probe the Structure and Dynamics of Biopolymers

ACS Symposium Series - Supercomputer Research in Chemistry and Chemical Engineering ◽

10.1021/bk-1987-0353.ch006 ◽

1987 ◽

pp. 82-105

Author(s):

Ronald M. Levy ◽

Fumio Hirata ◽

Kwang Kim ◽

Peisen Zhang

Keyword(s):

Computer Simulations ◽

Structure And Dynamics

Download Full-text

Computer simulations of polymer chain structure and dynamics on a hypersphere in four-space

The Journal of Chemical Physics ◽

10.1063/1.1896950 ◽

2005 ◽

Vol 122 (18) ◽

pp. 184110 ◽

Author(s):

Per Johan Råsmark ◽

Tobias Ekholm ◽

Christer Elvingson

Keyword(s):

Computer Simulations ◽

Polymer Chain ◽

Chain Structure ◽

Structure And Dynamics

Download Full-text