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Volumn 116, Issue 16, 2002, Pages 6880-6897

Calculation of the group-based pressure in molecular simulations. I. A general formulation including Ewald and particle-particle-particle-mesh electrostatics

(1) Hünenberger, Philippe H a

a ETH ZURICH (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; ATOMS; CALCULATIONS; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; ELECTROSTATICS; MOLECULAR DYNAMICS; MOLECULES; STATISTICAL MECHANICS;

ANISOTROPIC; ATOMIC PRESSURE; GROUP BASED PRESSURE; ISOTROPIC; LATTICE SUM METHOD; MOLECULAR PRESSURE; PARTICLE-PARTICLE-PARTICLE MESH ELECTROSTATICS; SELF ENERGY; VIRIAL EXPRESSION;

PRESSURE;

EID: 0037156066 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1463057 Document Type: Article

Times cited : (43)

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