NMscatt: a program for calculating inelastic scattering from large biomolecular systems using classical force-field simulations

Computer Physics Communications

Volumn 177, Issue 6, 2007, Pages 530-538

  Merzel, Franci ^a   Fontaine Vive, Fabien ^b,c   Johnson, Mark R ^b  

^a NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

^b INSTITUT LAUE LANGEVIN   (France)

^c Faculty of Applied Sciences   (Netherlands)

Author keywords

Atomic force field simulations; Dynamical structure factor; Inelastic neutron X ray scattering; Phonons; Vibrational analysis

Indexed keywords

COMPUTER PROGRAMMING LANGUAGES; COMPUTER SIMULATION; EIGENVALUES AND EIGENFUNCTIONS; INELASTIC SCATTERING; MATERIALS SCIENCE; X RAY SCATTERING;

ATOMIC FORCE-FIELD SIMULATIONS; DISPLACEMENT VECTORS; DYNAMICAL STRUCTURE FACTORS; VIBRATIONAL ANALYSIS;

BIOMOLECULES;

EID: 34547170481     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2007.02.114     Document Type: Article

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