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Results: 1-25 |
Results: 25
LIBRATIONAL CONTROL OF PHOTOCHEMICAL-REACTIONS IN SMALL CLUSTERS
Authors: JUNGWIRTH P ZDANSKA P SCHMIDT B
Citation: P. Jungwirth et al., LIBRATIONAL CONTROL OF PHOTOCHEMICAL-REACTIONS IN SMALL CLUSTERS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(37), 1998, pp. 7241-7244
URACIL DIMER - POTENTIAL-ENERGY AND FREE-ENERGY SURFACES - AB-INITIO BEYOND HARTREE-FOCK AND EMPIRICAL POTENTIAL STUDIES
Authors: KRATOCHVIL M ENGKVIST O SPONER J JUNGWIRTH P HOBZA P
Citation: M. Kratochvil et al., URACIL DIMER - POTENTIAL-ENERGY AND FREE-ENERGY SURFACES - AB-INITIO BEYOND HARTREE-FOCK AND EMPIRICAL POTENTIAL STUDIES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(35), 1998, pp. 6921-6926
WATER PHOTOLYSIS IN RARE-GAS ENVIRONMENT - THE CASPT2 EXCITED-STATE H2O((A)OVER-TILDE)-AR POTENTIAL
Authors: NACHTIGALLOVA D SLAVICEK P NACHTIGALL P JUNGWIRTH P
Citation: D. Nachtigallova et al., WATER PHOTOLYSIS IN RARE-GAS ENVIRONMENT - THE CASPT2 EXCITED-STATE H2O((A)OVER-TILDE)-AR POTENTIAL, Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1321-1328
RELAXATION OF CHLORINE ANIONS SOLVATED IN SMALL WATER CLUSTERS UPON ELECTRON PHOTODETACHMENT - THE 3 LOWEST POTENTIAL-ENERGY SURFACES OF THE NEUTRAL CL-CENTER-DOT-CENTER-DOT-CENTER-DOT-CENTER-DOT-H2O COMPLEX
Authors: ROESELOVA M JACOBY G KALDOR U JUNGWIRTH P
Citation: M. Roeselova et al., RELAXATION OF CHLORINE ANIONS SOLVATED IN SMALL WATER CLUSTERS UPON ELECTRON PHOTODETACHMENT - THE 3 LOWEST POTENTIAL-ENERGY SURFACES OF THE NEUTRAL CL-CENTER-DOT-CENTER-DOT-CENTER-DOT-CENTER-DOT-H2O COMPLEX, Chemical physics letters, 293(3-4), 1998, pp. 309-316
LIBRATIONAL CONTROL OF REACTIONS IN LARGE CLUSTERS
Authors: JUNGWIRTH P
Citation: P. Jungwirth, LIBRATIONAL CONTROL OF REACTIONS IN LARGE CLUSTERS, Chemical physics letters, 289(3-4), 1998, pp. 324-328
THE C4H4-CENTER-DOT-ENERGY SURFACE .2. THE JAHN-TELLER STABILIZATION OF IONIZED TETRAHEDRANE AND ITS REARRANGEMENT TO CYCLOBUTADIENE RADICAL-CATION( POTENTIAL)
Authors: HROUDA V BALLY T CARSKY P JUNGWIRTH P
Citation: V. Hrouda et al., THE C4H4-CENTER-DOT-ENERGY SURFACE .2. THE JAHN-TELLER STABILIZATION OF IONIZED TETRAHEDRANE AND ITS REARRANGEMENT TO CYCLOBUTADIENE RADICAL-CATION( POTENTIAL), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(21), 1997, pp. 3918-3924
QUANTUM DYNAMICS OF LARGE POLYATOMIC SYSTEMS USING CLASSICAL SEPARABLE POTENTIALS - THE COMPUTATIONAL IMPLEMENTATION
Authors: JUNGWIRTH P FREDJ E ZDANSKA P GERBER RB
Citation: P. Jungwirth et al., QUANTUM DYNAMICS OF LARGE POLYATOMIC SYSTEMS USING CLASSICAL SEPARABLE POTENTIALS - THE COMPUTATIONAL IMPLEMENTATION, Computers & chemistry, 21(6), 1997, pp. 419-429
QUANTUM MOLECULAR-DYNAMICS OF LARGE SYSTEMS BEYOND SEPARABLE APPROXIMATION - THE CONFIGURATION-INTERACTION CLASSICAL SEPARABLE POTENTIAL METHOD
Authors: JUNGWIRTH P FREDJ E GERBER RB
Citation: P. Jungwirth et al., QUANTUM MOLECULAR-DYNAMICS OF LARGE SYSTEMS BEYOND SEPARABLE APPROXIMATION - THE CONFIGURATION-INTERACTION CLASSICAL SEPARABLE POTENTIAL METHOD, The Journal of chemical physics, 107(21), 1997, pp. 8963-8974
VIBRATIONALLY RESOLVED SPECTRA FROM SHORT-TIME QUANTUM MOLECULAR-DYNAMICS BY THE FILTER-DIAGONALIZATION METHOD
Authors: JUNGWIRTH P SCHMIDT B MOISEYEV N
Citation: P. Jungwirth et al., VIBRATIONALLY RESOLVED SPECTRA FROM SHORT-TIME QUANTUM MOLECULAR-DYNAMICS BY THE FILTER-DIAGONALIZATION METHOD, Chemical physics letters, 280(3-4), 1997, pp. 177-184
QUANTUM DYNAMICS FOLLOWING ELECTRON PHOTODETACHMENT IN THE I-AR2 COMPLEX - HOW GOOD ARE THE NEW SEPARABLE AND NONSEPARABLE SIMULATION METHODS
Authors: JUNGWIRTH P SCHMIDT B
Citation: P. Jungwirth et B. Schmidt, QUANTUM DYNAMICS FOLLOWING ELECTRON PHOTODETACHMENT IN THE I-AR2 COMPLEX - HOW GOOD ARE THE NEW SEPARABLE AND NONSEPARABLE SIMULATION METHODS, Chemical physics letters, 275(3-4), 1997, pp. 127-136
ULTRAFAST QUANTUM DYNAMICS AND RESONANCE RAMAN-SPECTROSCOPY OF PHOTOEXCITED I-2(B) IN LARGE ARGON AND XENON CLUSTERS
Authors: JUNGWIRTH P FREDJ E GERBER B
Citation: P. Jungwirth et al., ULTRAFAST QUANTUM DYNAMICS AND RESONANCE RAMAN-SPECTROSCOPY OF PHOTOEXCITED I-2(B) IN LARGE ARGON AND XENON CLUSTERS, The Journal of chemical physics, 104(23), 1996, pp. 9332-9339
QUANTUM DYNAMICS SIMULATIONS OF NONADIABATIC PROCESSES IN MANY-ATOM SYSTEMS - PHOTOEXCITED BA(AR)(10) AND BA(AR)(20) CLUSTERS
Authors: JUNGWIRTH P GERBER RB
Citation: P. Jungwirth et Rb. Gerber, QUANTUM DYNAMICS SIMULATIONS OF NONADIABATIC PROCESSES IN MANY-ATOM SYSTEMS - PHOTOEXCITED BA(AR)(10) AND BA(AR)(20) CLUSTERS, The Journal of chemical physics, 104(15), 1996, pp. 5803-5814
VIBRATIONAL LINE SHIFTS OF HYDROGEN HALIDES IN A RARE-GAS ENVIRONMENT- HF DF AND HCL/DCL IN AR MATRICES AND CLUSTERS/
Authors: SCHMIDT B JUNGWIRTH P
Citation: B. Schmidt et P. Jungwirth, VIBRATIONAL LINE SHIFTS OF HYDROGEN HALIDES IN A RARE-GAS ENVIRONMENT- HF DF AND HCL/DCL IN AR MATRICES AND CLUSTERS/, Chemical physics letters, 259(1-2), 1996, pp. 62-68
QUANTUM DYNAMICS OF MANY-ATOM SYSTEMS BY THE CLASSICALLY BASED SEPARABLE POTENTIAL (CSP) METHOD - CALCULATIONS FOR I-(AR)(12) IN FULL DIMENSIONALITY
Authors: JUNGWIRTH P GERBER RB
Citation: P. Jungwirth et Rb. Gerber, QUANTUM DYNAMICS OF MANY-ATOM SYSTEMS BY THE CLASSICALLY BASED SEPARABLE POTENTIAL (CSP) METHOD - CALCULATIONS FOR I-(AR)(12) IN FULL DIMENSIONALITY, The Journal of chemical physics, 102(22), 1995, pp. 8855-8864
QUANTUM DYNAMICS OF LARGE POLYATOMIC SYSTEMS USING A CLASSICALLY BASED SEPARABLE POTENTIAL METHOD
Authors: JUNGWIRTH P GERBER RB
Citation: P. Jungwirth et Rb. Gerber, QUANTUM DYNAMICS OF LARGE POLYATOMIC SYSTEMS USING A CLASSICALLY BASED SEPARABLE POTENTIAL METHOD, The Journal of chemical physics, 102(15), 1995, pp. 6046-6056
CYCLOBUTADIENE RADICAL-CATION - AN AB-INITIO STUDY OF THE JAHN-TELLERSURFACE
Authors: ROESELOVA M BALLY T JUNGWIRTH P CARSKY P
Citation: M. Roeselova et al., CYCLOBUTADIENE RADICAL-CATION - AN AB-INITIO STUDY OF THE JAHN-TELLERSURFACE, Chemical physics letters, 234(4-6), 1995, pp. 395-404
ASSOCIATION AND DISSOCIATION OF NONPOLAR AND POLAR VAN-DER-WAALS PAIRS IN WATER - MANIFESTATION OF THE HYDROPHOBIC AND HYDROPHILIC EFFECT
Authors: JUNGWIRTH P ZAHRADNIK R
Citation: P. Jungwirth et R. Zahradnik, ASSOCIATION AND DISSOCIATION OF NONPOLAR AND POLAR VAN-DER-WAALS PAIRS IN WATER - MANIFESTATION OF THE HYDROPHOBIC AND HYDROPHILIC EFFECT, Journal of physical chemistry, 98(4), 1994, pp. 1328-1332
STABILITY OF CHARGE-TRANSFER COMPLEXES OF CS2 WITH PH3 AND ITS DERIVATIVES - AB-INITIO MRSDCI CASSCF STUDY/
Authors: ZAHRADNIK R JUNGWIRTH P URBAN J POLASEK M
Citation: R. Zahradnik et al., STABILITY OF CHARGE-TRANSFER COMPLEXES OF CS2 WITH PH3 AND ITS DERIVATIVES - AB-INITIO MRSDCI CASSCF STUDY/, Helvetica Chimica Acta, 77(7), 1994, pp. 1810-1816
PROCESSES IN THE LIQUID-PHASE AND COMPUTE R EXPERIMENTS - FROM PHYSICS TO CHEMISTRY
Authors: JUNGWIRTH P ZAHRADNIK R
Citation: P. Jungwirth et R. Zahradnik, PROCESSES IN THE LIQUID-PHASE AND COMPUTE R EXPERIMENTS - FROM PHYSICS TO CHEMISTRY, Chemicke listy, 88(2), 1994, pp. 69-76
THE ENTROPY-DRIVEN HYDROPHOBIC EFFECT AS A FUNCTION OF SOLUTE SOLVENTINTERACTIONS - A MOLECULAR-DYNAMICS STUDY
Authors: JUNGWIRTH P ZAHRADNIK R
Citation: P. Jungwirth et R. Zahradnik, THE ENTROPY-DRIVEN HYDROPHOBIC EFFECT AS A FUNCTION OF SOLUTE SOLVENTINTERACTIONS - A MOLECULAR-DYNAMICS STUDY, Chemical physics letters, 217(3), 1994, pp. 319-324
ON THE STABILITY OF XH3YH3 CHARGE-TRANSFER COMPLEXES (X=B, AL, GA, INAND Y=N, OR P FOR X=B, AL) - AN AB-INITIO STUDY
Authors: JUNGWIRTH P ZAHRADNIK R
Citation: P. Jungwirth et R. Zahradnik, ON THE STABILITY OF XH3YH3 CHARGE-TRANSFER COMPLEXES (X=B, AL, GA, INAND Y=N, OR P FOR X=B, AL) - AN AB-INITIO STUDY, Journal of molecular structure. Theochem, 102, 1993, pp. 317-320
AN INNOVATION OF SCHRODINGER CAT - REPLY
Authors: ZAHRADNIK R JUNGWIRTH P
Citation: R. Zahradnik et P. Jungwirth, AN INNOVATION OF SCHRODINGER CAT - REPLY, Chemicke listy, 87(12), 1993, pp. 884-884
IS THE WATER-INDUCED POTENTIAL OF MEAN TORSION OF N-BUTANE TRANSFERABLE TO LONGER N-ALKANES
Authors: JUNGWIRTH P ZAHRADNIK R
Citation: P. Jungwirth et R. Zahradnik, IS THE WATER-INDUCED POTENTIAL OF MEAN TORSION OF N-BUTANE TRANSFERABLE TO LONGER N-ALKANES, Chemical physics letters, 212(3-4), 1993, pp. 211-217
THE C4H8.-ENERGY SURFACE .1. THE CYCLOBUTANE RADICAL-CATION( POTENTIAL)
Authors: JUNGWIRTH P CARSKY P BALLY T
Citation: P. Jungwirth et al., THE C4H8.-ENERGY SURFACE .1. THE CYCLOBUTANE RADICAL-CATION( POTENTIAL), Journal of the American Chemical Society, 115(13), 1993, pp. 5776-5782
THE C4H8.-ENERGY SURFACE .2. THE (C2H4)2.+ COMPLEX CATION AND ITS REACTION TO THE RADICAL CATIONS OF CYCLOBUTANE AND 1-BUTENE( POTENTIAL)
Authors: JUNGWIRTH P BALLY T
Citation: P. Jungwirth et T. Bally, THE C4H8.-ENERGY SURFACE .2. THE (C2H4)2.+ COMPLEX CATION AND ITS REACTION TO THE RADICAL CATIONS OF CYCLOBUTANE AND 1-BUTENE( POTENTIAL), Journal of the American Chemical Society, 115(13), 1993, pp. 5783-5789
Risultati: 1-25 |