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Fluid Phase Equilibria

Volumn 199, Issue 1-2, 2002, Pages 5-13

Ab initio pair potentials and phase equilibria predictions of halogenated compounds

(3) Sum, Amadeu K a Sandler, Stanley I a Naicker, Pavanandan K a

a University of Delaware (United States)

Author keywords

Interaction potential; Molecular simulation; Phase behavior; Quantum mechanics

Indexed keywords

COMPUTER SIMULATION; FLUORINE COMPOUNDS; HYDROGEN BONDS; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; VAPOR PRESSURE;

INTERACTION ENERGIES;

PHASE EQUILIBRIA;

FLUOROMETHANE; HALIDE; HYDROCHLORIC ACID; HYDROFLUORIC ACID;

QUANTUM MECHANICS;

AB INITIO CALCULATION; CHEMICAL ANALYSIS; CHLORINATION; CONFERENCE PAPER; DENSITY; ENERGY; FLUORINATION; HYDROGEN BOND; LIQUID; LITERATURE; MOLECULAR INTERACTION; MONTE CARLO METHOD; PREDICTION; TEMPERATURE; THEORY; VAPOR; VAPOR PRESSURE;

EID: 0037199046 PISSN: 03783812 EISSN: None Source Type: Journal
DOI: 10.1016/S0378-3812(01)00795-6 Document Type: Conference Paper

Times cited : (13)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.