Internal coordinate density of state from molecular dynamics simulation

Journal of Computational Chemistry

Volumn 36, Issue 8, 2015, Pages 507-517

  Lai, Pin Kuang ^a   Lin, Shiang Tai ^a  

^a NATIONAL TAIWAN UNIVERSITY   (Taiwan)

Author keywords

Cartesian coordinates; Density of state; Internal coordinates; Molecular dynamics simulation; Normal modes; Velocity spectrum

Indexed keywords

AUTOCORRELATION; DIHEDRAL ANGLE; PRASEODYMIUM COMPOUNDS; ROTATION; VELOCITY;

CARTESIAN COORDINATE; DENSITY OF STATE; INTERNAL COORDINATES; MOLECULAR DYNAMICS SIMULATIONS; NORMAL MODES; VELOCITY SPECTRUM;

MOLECULAR DYNAMICS;

EID: 84923352300     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23822     Document Type: Article

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