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Results: 1-25 | 26-31
Results: 1-25/31
OPACITY OF TIO FROM A COUPLED ELECTRONIC-STATE CALCULATION PARAMETRIZED BY AB-INITIO AND EXPERIMENTAL-DATA
Authors: SCHWENKE DW
Citation: Dw. Schwenke, OPACITY OF TIO FROM A COUPLED ELECTRONIC-STATE CALCULATION PARAMETRIZED BY AB-INITIO AND EXPERIMENTAL-DATA, Faraday discussions, (109), 1998, pp. 321-334
TEST OF TRAJECTORY SURFACE HOPPING AGAINST ACCURATE QUANTUM DYNAMICS FOR AN ELECTRONICALLY NONADIABATIC CHEMICAL-REACTION
Authors: TOPALER MS ALLISON TC SCHWENKE DW TRUHLAR DG
Citation: Ms. Topaler et al., TEST OF TRAJECTORY SURFACE HOPPING AGAINST ACCURATE QUANTUM DYNAMICS FOR AN ELECTRONICALLY NONADIABATIC CHEMICAL-REACTION, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(10), 1998, pp. 1666-1673
NEW H2O ROVIBRATIONAL LINE ASSIGNMENTS
Authors: SCHWENKE DW
Citation: Dw. Schwenke, NEW H2O ROVIBRATIONAL LINE ASSIGNMENTS, Journal of molecular spectroscopy (Print), 190(2), 1998, pp. 397-402
WHAT IS THE BEST SEMICLASSICAL METHOD FOR PHOTOCHEMICAL DYNAMICS OF SYSTEMS WITH CONICAL INTERSECTIONS
Authors: TOPALER MS ALLISON TC SCHWENKE DW TRUHLAR DG
Citation: Ms. Topaler et al., WHAT IS THE BEST SEMICLASSICAL METHOD FOR PHOTOCHEMICAL DYNAMICS OF SYSTEMS WITH CONICAL INTERSECTIONS, The Journal of chemical physics, 109(9), 1998, pp. 3321-3345
EXCHANGE INTEGRALS FOR 4-ATOM REACTIVE-SCATTERING CALCULATIONS
Authors: SCHWENKE DW
Citation: Dw. Schwenke, EXCHANGE INTEGRALS FOR 4-ATOM REACTIVE-SCATTERING CALCULATIONS, Journal of the Chemical Society. Faraday transactions, 93(5), 1997, pp. 811-814
FUNNEL STATES AS MEDIATORS OF BORN-OPPENHEIMER BREAKDOWN IN REACTIONSAT AN AVOIDED CROSSING
Authors: ALLISON TC MIELKE SL SCHWENKE DW TRUHLAR DG
Citation: Tc. Allison et al., FUNNEL STATES AS MEDIATORS OF BORN-OPPENHEIMER BREAKDOWN IN REACTIONSAT AN AVOIDED CROSSING, Journal of the Chemical Society. Faraday transactions, 93(5), 1997, pp. 825-832
VALIDATION OF TRAJECTORY SURFACE HOPPING METHODS AGAINST ACCURATE QUANTUM-MECHANICAL DYNAMICS AND SEMICLASSICAL ANALYSIS OF ELECTRONIC-TO-VIBRATIONAL ENERGY-TRANSFER
Authors: TOPALER MS HACK MD ALLISON TC LIU YP MIELKE SL SCHWENKE DW TRUHLAR DG
Citation: Ms. Topaler et al., VALIDATION OF TRAJECTORY SURFACE HOPPING METHODS AGAINST ACCURATE QUANTUM-MECHANICAL DYNAMICS AND SEMICLASSICAL ANALYSIS OF ELECTRONIC-TO-VIBRATIONAL ENERGY-TRANSFER, The Journal of chemical physics, 106(21), 1997, pp. 8699-8709
THE DETERMINATION OF AN ACCURATE ISOTOPE DEPENDENT POTENTIAL-ENERGY SURFACE FOR WATER FROM EXTENSIVE AB-INITIO CALCULATIONS AND EXPERIMENTAL-DATA
Authors: PARTRIDGE H SCHWENKE DW
Citation: H. Partridge et Dw. Schwenke, THE DETERMINATION OF AN ACCURATE ISOTOPE DEPENDENT POTENTIAL-ENERGY SURFACE FOR WATER FROM EXTENSIVE AB-INITIO CALCULATIONS AND EXPERIMENTAL-DATA, The Journal of chemical physics, 106(11), 1997, pp. 4618-4639
DYNAMICS OF THE SIMPLEST CHLORINE ATOM REACTION - AN EXPERIMENTAL ANDTHEORETICAL-STUDY
Authors: ALAGIA M BALUCANI N CARTECHINI L CASAVECCHIA P VANKLEEF EH VOLPI GG AOIZ FJ BANARES L SCHWENKE DW ALLISON TC MIELKE SL TRUHLAR DG
Citation: M. Alagia et al., DYNAMICS OF THE SIMPLEST CHLORINE ATOM REACTION - AN EXPERIMENTAL ANDTHEORETICAL-STUDY, Science, 273(5281), 1996, pp. 1519-1522
VARIATIONAL CALCULATIONS OF ROVIBRATIONAL ENERGY-LEVELS AND TRANSITION INTENSITIES FOR TETRATOMIC MOLECULES
Authors: SCHWENKE DW
Citation: Dw. Schwenke, VARIATIONAL CALCULATIONS OF ROVIBRATIONAL ENERGY-LEVELS AND TRANSITION INTENSITIES FOR TETRATOMIC MOLECULES, Journal of physical chemistry, 100(8), 1996, pp. 2867-2884
VARIATIONAL CALCULATIONS OF ROVIBRATIONAL-ENERGY LEVELS AND TRANSITION INTENSITIES FOR TETRATOMIC MOLECULES (VOL 100, PG 2868, 1996)
Authors: SCHWENKE DW
Citation: Dw. Schwenke, VARIATIONAL CALCULATIONS OF ROVIBRATIONAL-ENERGY LEVELS AND TRANSITION INTENSITIES FOR TETRATOMIC MOLECULES (VOL 100, PG 2868, 1996), Journal of physical chemistry, 100(48), 1996, pp. 18884-18884
QUANTUM-MECHANICAL RATE COEFFICIENTS FOR THE CL-2 REACTION(H)
Authors: MIELKE SL ALLISON TC TRUHLAR DG SCHWENKE DW
Citation: Sl. Mielke et al., QUANTUM-MECHANICAL RATE COEFFICIENTS FOR THE CL-2 REACTION(H), Journal of physical chemistry, 100(32), 1996, pp. 13588-13593
IS THERE EVIDENCE FOR DETECTION OF CYCLIC C-4 IN IR-SPECTRA - AN ACCURATE AB-INITIO COMPUTED QUARTIC FORCE-FIELD
Authors: MARTIN JML SCHWENKE DW LEE TJ TAYLOR PR
Citation: Jml. Martin et al., IS THERE EVIDENCE FOR DETECTION OF CYCLIC C-4 IN IR-SPECTRA - AN ACCURATE AB-INITIO COMPUTED QUARTIC FORCE-FIELD, The Journal of chemical physics, 104(12), 1996, pp. 4657-4663
QUANTUM PHOTOCHEMISTRY - THE COMPETITION BETWEEN ELECTRONICALLY NONADIABATIC REACTION AND ELECTRONIC-TO-VIBRATIONAL, ROTATIONAL, TRANSLATIONAL ENERGY-TRANSFER IN BR-ASTERISK COLLISIONS WITH H-2
Authors: MIELKE SL TRUHLAR DG SCHWENKE DW
Citation: Sl. Mielke et al., QUANTUM PHOTOCHEMISTRY - THE COMPETITION BETWEEN ELECTRONICALLY NONADIABATIC REACTION AND ELECTRONIC-TO-VIBRATIONAL, ROTATIONAL, TRANSLATIONAL ENERGY-TRANSFER IN BR-ASTERISK COLLISIONS WITH H-2, Journal of physical chemistry, 99(44), 1995, pp. 16210-16216
ANOMALOUS SYMMETRIES OF THE ROVIBRATIONAL STATES OF HO2 - CONSEQUENCES OF A CONICAL INTERSECTION
Authors: BARCLAY VJ DATEO CE HAMILTON IP KENDRICK B PACK RT SCHWENKE DW
Citation: Vj. Barclay et al., ANOMALOUS SYMMETRIES OF THE ROVIBRATIONAL STATES OF HO2 - CONSEQUENCES OF A CONICAL INTERSECTION, The Journal of chemical physics, 103(9), 1995, pp. 3864-3867
A FAST FOURIER-TRANSFORM METHOD FOR THE QUASI-CLASSICAL SELECTION OF INITIAL ROVIBRATIONAL STATES OF TRIATOMIC-MOLECULES
Authors: EAKER CW SCHWENKE DW
Citation: Cw. Eaker et Dw. Schwenke, A FAST FOURIER-TRANSFORM METHOD FOR THE QUASI-CLASSICAL SELECTION OF INITIAL ROVIBRATIONAL STATES OF TRIATOMIC-MOLECULES, The Journal of chemical physics, 103(16), 1995, pp. 6984-6992
QUANTUM PHOTOCHEMISTRY - ACCURATE QUANTUM SCATTERING CALCULATIONS FORAN ELECTRONICALLY NONADIABATIC REACTION
Authors: MIELKE SL TAWA GJ TRUHLAR DG SCHWENKE DW
Citation: Sl. Mielke et al., QUANTUM PHOTOCHEMISTRY - ACCURATE QUANTUM SCATTERING CALCULATIONS FORAN ELECTRONICALLY NONADIABATIC REACTION, Chemical physics letters, 234(1-3), 1995, pp. 57-63
COMPARISON OF THEORETICAL AND EXPERIMENTAL DIFFERENTIAL CROSS-SECTIONS FOR THE H-2 REACTION(D)
Authors: MIELKE SL TRUHLAR DG SCHWENKE DW
Citation: Sl. Mielke et al., COMPARISON OF THEORETICAL AND EXPERIMENTAL DIFFERENTIAL CROSS-SECTIONS FOR THE H-2 REACTION(D), Journal of physical chemistry, 98(4), 1994, pp. 1053-1057
AB-INITIO CHEMICAL-KINETICS - CONVERGED QUANTAL REACTION-RATE CONSTANTS FOR THE D-2 SYSTEM(H)
Authors: MIELKE SL LYNCH GC TRUHLAR DG SCHWENKE DW
Citation: Sl. Mielke et al., AB-INITIO CHEMICAL-KINETICS - CONVERGED QUANTAL REACTION-RATE CONSTANTS FOR THE D-2 SYSTEM(H), Journal of physical chemistry, 98(33), 1994, pp. 8000-8008
AN ACCURATE QUARTIC FORCE-FIELD AND VIBRATIONAL FREQUENCIES FOR HNO AND DNO
Authors: DATEO CE LEE TJ SCHWENKE DW
Citation: Ce. Dateo et al., AN ACCURATE QUARTIC FORCE-FIELD AND VIBRATIONAL FREQUENCIES FOR HNO AND DNO, The Journal of chemical physics, 101(7), 1994, pp. 5853-5859
RAMAN Q-BRANCH LINE-SHAPES AS A TEST OF A H-2-AR INTERMOLECULAR POTENTIAL
Authors: GREEN S SCHWENKE DW HUO WM
Citation: S. Green et al., RAMAN Q-BRANCH LINE-SHAPES AS A TEST OF A H-2-AR INTERMOLECULAR POTENTIAL, The Journal of chemical physics, 101(1), 1994, pp. 15-19
ALGEBRAIC VARIATIONAL AND PROPAGATION FORMALISMS FOR QUANTAL DYNAMICSCALCULATIONS OF ELECTRONIC-TO-VIBRATIONAL, ROTATIONAL ENERGY-TRANSFERAND APPLICATION TO THE QUENCHING OF THE 3P STATE OF SODIUM BY HYDROGEN MOLECULES
Authors: TAWA GJ MIELKE SL TRUHLAR DG SCHWENKE DW
Citation: Gj. Tawa et al., ALGEBRAIC VARIATIONAL AND PROPAGATION FORMALISMS FOR QUANTAL DYNAMICSCALCULATIONS OF ELECTRONIC-TO-VIBRATIONAL, ROTATIONAL ENERGY-TRANSFERAND APPLICATION TO THE QUENCHING OF THE 3P STATE OF SODIUM BY HYDROGEN MOLECULES, The Journal of chemical physics, 100(8), 1994, pp. 5751-5777
COMPARISON OF SEMICLASSICAL AND QUANTUM-MECHANICAL METHODS FOR THE DETERMINATION OF TRANSPORT CROSS-SECTIONS
Authors: LEVIN E SCHWENKE DW STALLCOP JR PARTRIDGE H
Citation: E. Levin et al., COMPARISON OF SEMICLASSICAL AND QUANTUM-MECHANICAL METHODS FOR THE DETERMINATION OF TRANSPORT CROSS-SECTIONS, Chemical physics letters, 227(6), 1994, pp. 669-675
A MORE ACCURATE POTENTIAL-ENERGY SURFACE AND QUANTUM-MECHANICAL CROSS-SECTION CALCULATIONS FOR THE F-H-2 REACTION (VOL 213, PG 10, 1993)()
Authors: MIELKE SL LYNCH GC TRUHLAR DG SCHWENKE DW
Citation: Sl. Mielke et al., A MORE ACCURATE POTENTIAL-ENERGY SURFACE AND QUANTUM-MECHANICAL CROSS-SECTION CALCULATIONS FOR THE F-H-2 REACTION (VOL 213, PG 10, 1993)(), Chemical physics letters, 217(1-2), 1994, pp. 173-174
COMPARISON OF CROSS-SECTIONS FROM THE QUASI-CLASSICAL TRAJECTORY METHOD AND THE JZ-CONSERVING CENTRIFUGAL SUDDEN APPROXIMATION WITH ACCURATE QUANTUM RESULTS FOR AN ATOM-RIGID NONLINEAR POLYATOMIC COLLISION
Authors: SCHWENKE DW
Citation: Dw. Schwenke, COMPARISON OF CROSS-SECTIONS FROM THE QUASI-CLASSICAL TRAJECTORY METHOD AND THE JZ-CONSERVING CENTRIFUGAL SUDDEN APPROXIMATION WITH ACCURATE QUANTUM RESULTS FOR AN ATOM-RIGID NONLINEAR POLYATOMIC COLLISION, Journal of physical chemistry, 97(29), 1993, pp. 7627-7638
Risultati: 1-25 | 26-31