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Results: 1-10 |
Results: 10
INTERMOLECULAR INTERACTIONS OF DICHLOROMETHANE WITH PD(IV) ORGANOMETALLIC COMPOUNDS - CAN WE USE SMALL BASIS-SETS IN AB-INITIO MP2 AND DFT CALCULATIONS
Authors: VISENTIN T KOCHANSKI E DEDIEU A
Citation: T. Visentin et al., INTERMOLECULAR INTERACTIONS OF DICHLOROMETHANE WITH PD(IV) ORGANOMETALLIC COMPOUNDS - CAN WE USE SMALL BASIS-SETS IN AB-INITIO MP2 AND DFT CALCULATIONS, Journal of molecular structure. Theochem, 431(3), 1998, pp. 255-265
THEORETICAL-STUDY OF THE OH-(H2O)(2) SYSTEM - NATURE AND IMPORTANCE OF 3-BODY INTERACTIONS
Authors: TURKI N MILET A RAHMOUNI A OUAMERALI O MOSZYNSKI R KOCHANSKI E WORMER PES
Citation: N. Turki et al., THEORETICAL-STUDY OF THE OH-(H2O)(2) SYSTEM - NATURE AND IMPORTANCE OF 3-BODY INTERACTIONS, The Journal of chemical physics, 109(17), 1998, pp. 7157-7168
CASSCF CASPT2 STUDIES OF THE LOWEST STATES OF H(5)O2(+)/
Authors: KLEIN S KOCHANSKI E STRICH A SADLEJ AJ
Citation: S. Klein et al., CASSCF CASPT2 STUDIES OF THE LOWEST STATES OF H(5)O2(+)/, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(26), 1997, pp. 4799-4806
3-BODY FORCES EFFECT IN MONTE-CARLO STUDIES OF PROTONATED HYDRATES
Authors: KELTERBAUM R KOCHANSKI E
Citation: R. Kelterbaum et E. Kochanski, 3-BODY FORCES EFFECT IN MONTE-CARLO STUDIES OF PROTONATED HYDRATES, Journal of molecular structure. Theochem, 371, 1996, pp. 205-218
ELECTRIC PROPERTIES OF THE WATER MOLECULE IN (1)A(1),B-1(1), AND B-3(1) ELECTRONIC STATES - REFINED CASSCF AND CASPT2 CALCULATIONS
Authors: KLEIN S KOCHANSKI E STRICH A SADLEJ AJ
Citation: S. Klein et al., ELECTRIC PROPERTIES OF THE WATER MOLECULE IN (1)A(1),B-1(1), AND B-3(1) ELECTRONIC STATES - REFINED CASSCF AND CASPT2 CALCULATIONS, Theoretica Chimica Acta, 94(2), 1996, pp. 75-91
ELECTRIC PROPERTIES OF THE OXONIUM ION IN ITS GROUND AND 2 LOWEST EXCITED-STATES
Authors: KLEIN S KOCHANSKI E STRICH A
Citation: S. Klein et al., ELECTRIC PROPERTIES OF THE OXONIUM ION IN ITS GROUND AND 2 LOWEST EXCITED-STATES, Chemical physics letters, 260(1-2), 1996, pp. 34-42
BEHAVIOR AND EVOLUTION OF THE FIRST 28 PROTONATED HYDRATES FROM MONTE-CARLO STUDIES
Authors: KELTERBAUM R KOCHANSKI E
Citation: R. Kelterbaum et E. Kochanski, BEHAVIOR AND EVOLUTION OF THE FIRST 28 PROTONATED HYDRATES FROM MONTE-CARLO STUDIES, Journal of physical chemistry, 99(33), 1995, pp. 12493-12500
THEORETICAL-STUDIES OF H+(H2O)(5)
Authors: CORONGIU G KELTERBAUM R KOCHANSKI E
Citation: G. Corongiu et al., THEORETICAL-STUDIES OF H+(H2O)(5), Journal of physical chemistry, 99(20), 1995, pp. 8038-8044
TRAPS IN MODELING INTERMOLECULAR 3-BODY FORCES - EXAMPLE OF THE WATER-SYSTEM AND PROTONATED HYDRATES
Authors: KELTERBAUM R TURKI N RAHMOUNI A KOCHANSKI E
Citation: R. Kelterbaum et al., TRAPS IN MODELING INTERMOLECULAR 3-BODY FORCES - EXAMPLE OF THE WATER-SYSTEM AND PROTONATED HYDRATES, Journal of molecular structure. Theochem, 120(1-2), 1994, pp. 191-210
ABOUT THE NATURE OF INTERMOLECULAR 3-BODY FORCES IONIC SYSTEMS - THE CASE OF PROTONATED HYDRATES
Authors: KELTERBAUM R TURKI N RAHMOUNI A KOCHANSKI E
Citation: R. Kelterbaum et al., ABOUT THE NATURE OF INTERMOLECULAR 3-BODY FORCES IONIC SYSTEMS - THE CASE OF PROTONATED HYDRATES, The Journal of chemical physics, 100(2), 1994, pp. 1589-1598
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