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Results: 1-10 |
Results: 10
AB-INITIO CALCULATION OF A 3-BODY POTENTIAL TO BE APPLIED IN SIMULATIONS OF FLUID NEON
Authors: ERMAKOVA E SOLCA J STEINEBRUNNER G HUBER H
Citation: E. Ermakova et al., AB-INITIO CALCULATION OF A 3-BODY POTENTIAL TO BE APPLIED IN SIMULATIONS OF FLUID NEON, Chemistry, 4(3), 1998, pp. 377-382
CHEMICAL ACCURACY OBTAINED IN AN AB-INITIO MOLECULAR-DYNAMICS SIMULATION OF A FLUID BY INCLUSION OF A 3-BODY POTENTIAL
Authors: KIRCHNER B ERMAKOVA E SOLCA J HUBER H
Citation: B. Kirchner et al., CHEMICAL ACCURACY OBTAINED IN AN AB-INITIO MOLECULAR-DYNAMICS SIMULATION OF A FLUID BY INCLUSION OF A 3-BODY POTENTIAL, Chemistry, 4(3), 1998, pp. 383-388
MELTING CURVES FOR NEON CALCULATED FROM PURE THEORY
Authors: SOLCA J DYSON AJ STEINEBRUNNER G KIRCHNER B HUBER H
Citation: J. Solca et al., MELTING CURVES FOR NEON CALCULATED FROM PURE THEORY, The Journal of chemical physics, 108(10), 1998, pp. 4107-4111
MELTING CURVE FOR ARGON CALCULATED FROM PURE THEORY
Authors: SOLCA J DYSON AJ STEINEBRUNNER G KIRCHNER B HUBER H
Citation: J. Solca et al., MELTING CURVE FOR ARGON CALCULATED FROM PURE THEORY, Chemical physics, 224(2-3), 1997, pp. 253-261
AN UNUSUAL BASIS-SET SUPERPOSITION ERROR IN THE ELECTRIC-FIELD GRADIENT OF THE NEON DIMER CALCULATED WITH BOND FUNCTIONS
Authors: HUBER H KIRCHNER B SOLCA J STEINEBRUNNER G
Citation: H. Huber et al., AN UNUSUAL BASIS-SET SUPERPOSITION ERROR IN THE ELECTRIC-FIELD GRADIENT OF THE NEON DIMER CALCULATED WITH BOND FUNCTIONS, Chemical physics letters, 266(3-4), 1997, pp. 388-390
AB-INITIO CALCULATION OF THE INTERMOLECULAR POTENTIAL-ENERGY SURFACE OF (CO2)(2) AND FIRST APPLICATIONS IN SIMULATIONS OF FLUID CO2
Authors: WELKER M STEINEBRUNNER G SOLCA J HUBER H
Citation: M. Welker et al., AB-INITIO CALCULATION OF THE INTERMOLECULAR POTENTIAL-ENERGY SURFACE OF (CO2)(2) AND FIRST APPLICATIONS IN SIMULATIONS OF FLUID CO2, Chemical physics, 213(1-3), 1996, pp. 253-261
BULK PROPERTIES OF LIQUIDS AND MOLECULAR-PROPERTIES IN LIQUIDS FROM ACOMBINATION OF QUANTUM-CHEMICAL CALCULATIONS AND CLASSICAL SIMULATIONS
Authors: HUBER H ERMAKOVA E SOLCA J STEINEBRUNNER G
Citation: H. Huber et al., BULK PROPERTIES OF LIQUIDS AND MOLECULAR-PROPERTIES IN LIQUIDS FROM ACOMBINATION OF QUANTUM-CHEMICAL CALCULATIONS AND CLASSICAL SIMULATIONS, Chimia, 50(1-2), 1996, pp. 27-30
ARGON IN CONDENSED-PHASE - QUANTITATIVE CALCULATIONS OF STRUCTURAL, THERMODYNAMIC, AND TRANSPORT-PROPERTIES FROM PURE THEORY
Authors: ERMAKOVA E SOLCA J HUBER H WELKER M
Citation: E. Ermakova et al., ARGON IN CONDENSED-PHASE - QUANTITATIVE CALCULATIONS OF STRUCTURAL, THERMODYNAMIC, AND TRANSPORT-PROPERTIES FROM PURE THEORY, The Journal of chemical physics, 102(12), 1995, pp. 4942-4951
BULK PROPERTIES OF LIQUIDS AND MOLECULAR-PROPERTIES IN LIQUIDS FROM ACOMBINATION OF QUANTUM-CHEMICAL CALCULATIONS AND CLASSICAL SIMULATIONS .2. BULK PROPERTIES
Authors: HUBER H ERMAKOVA E SOLCA J STEINEBRUNNER G
Citation: H. Huber et al., BULK PROPERTIES OF LIQUIDS AND MOLECULAR-PROPERTIES IN LIQUIDS FROM ACOMBINATION OF QUANTUM-CHEMICAL CALCULATIONS AND CLASSICAL SIMULATIONS .2. BULK PROPERTIES, Chimia, 49(12), 1995, pp. 504-507
MANY-BODY AND QUANTUM EFFECTS IN THE RADIAL-DISTRIBUTION FUNCTION OF LIQUID NEON AND ARGON
Authors: ERMAKOVA E SOLCA J HUBER H MARX D
Citation: E. Ermakova et al., MANY-BODY AND QUANTUM EFFECTS IN THE RADIAL-DISTRIBUTION FUNCTION OF LIQUID NEON AND ARGON, Chemical physics letters, 246(3), 1995, pp. 204-208
Risultati: 1-10 |