Umbrella integration in two or more reaction coordinates

Journal of Chemical Physics

Volumn 131, Issue 3, 2009, Pages

  Kästner, Johannes ^a  

^a UNIVERSITY OF STUTTGART   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALANINE DIPEPTIDE; ANALYTIC FUNCTIONS; ENERGY GRADIENTS; FREE ENERGY SURFACE; IN-VACUUM; INTEGRATION SCHEME; JACOBIANS; MEAN FORCES; MULTIVARIATE NORMAL DISTRIBUTIONS; NON-CARTESIAN; PERIODIC REACTIONS; REACTION COORDINATES; REAL-SPACE; SAMPLING DATA; TORSION ANGLE; UMBRELLA SAMPLING;

COVARIANCE MATRIX; FOURIER ANALYSIS; FREE ENERGY; FUNCTIONAL ANALYSIS; NORMAL DISTRIBUTION; TORSIONAL STRESS; WINDOWS;

INTEGRATION;

EID: 67651171597     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3175798     Document Type: Article

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