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Volumn 113, Issue 11, 2000, Pages 4707-4712

The best structural data of liquid ammonia based on the pair approximation: First-principles Monte Carlo simulation

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BOND STRENGTH (CHEMICAL); COMPUTER SIMULATION; DIMERS; ERROR ANALYSIS; HYDROGEN BONDS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; NEUTRON DIFFRACTION; POLARIZATION;

HARTEE-FOCK LEVEL; NITROGEN-NITROGEN RADIAL DISTRIBUTION FUNCTION (RDF); THREE BODY INTERACTION ENERGIES; TRIPLE ZETA PLUS POLARIZATION (TZP) FUNCTIONS;

AMMONIA;

EID: 0034271556 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: None Document Type: Article

Times cited : (15)

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