Catalogo Articoli (Spogli Riviste)

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La ricerca find articoli where soggetti phrase all words 'NONADIABATIC PROCESSES' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 28 riferimenti
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    1. Kapral, R
      Quantum-classical dynamics in a classical bath

      JOURNAL OF PHYSICAL CHEMISTRY A
    2. Prezhdo, OV; Brooksby, C
      Quantum backreaction through the Bohmian particle

      PHYSICAL REVIEW LETTERS
    3. Kiljunen, T; Eloranta, J; Ahokas, J; Kunttu, H
      Magnetic properties of atomic boron in rare gas matrices: An electron paramagnetic resonance study with ab initio and diatomics-in-molecules molecular dynamics analysis

      JOURNAL OF CHEMICAL PHYSICS
    4. Brooksby, C; Prezhdo, OV
      Quantized mean-field approximation

      CHEMICAL PHYSICS LETTERS
    5. Cui, Q; Morokuma, K
      The spin-forbidden reaction CH((2)Pi)+N-2 -> HCN+N(S-4) revisited I. Ab initio study of the potential energy surfaces

      THEORETICAL CHEMISTRY ACCOUNTS
    6. Cattaneo, P; Granucci, G; Persico, M
      Simulations of condensed phase photochemistry: Cage effect and internal conversion in azoalkanes and nitrosamines

      JOURNAL OF PHYSICAL CHEMISTRY A
    7. Cardenas, AE; Coalson, RD
      Calculation of reduced partial cross sections of molecules photodesorbing from a cold crystal surface with internal vibrations: Inclusion of curve-crossing effects

      JOURNAL OF CHEMICAL PHYSICS
    8. Kapral, R; Ciccotti, G
      Mixed quantum-classical dynamics

      JOURNAL OF CHEMICAL PHYSICS
    9. UNGAR LW; CINA JA
      THE RELAXATION DYNAMICS AND SHORT-TIME OPTICAL-RESPONSE OF A MULTIMODE OPEN SYSTEM

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    10. TOPALER MS; ALLISON TC; SCHWENKE DW; TRUHLAR DG
      WHAT IS THE BEST SEMICLASSICAL METHOD FOR PHOTOCHEMICAL DYNAMICS OF SYSTEMS WITH CONICAL INTERSECTIONS

      The Journal of chemical physics
    11. MULLER U; STOCK G
      CONSISTENT TREATMENT OF QUANTUM-MECHANICAL AND CLASSICAL DEGREES OF FREEDOM IN MIXED QUANTUM-CLASSICAL SIMULATIONS

      The Journal of chemical physics
    12. MCWHIRTER JL
      TIME-CORRELATION FUNCTIONS FOR MIXED QUANTUM-CLASSICAL SYSTEMS

      The Journal of chemical physics
    13. Bratos, S; Leicknam, JC
      Anisotropy of pump-probe absorption of the hydrated electron: A statistical model

      JOURNAL OF CHEMICAL PHYSICS
    14. BRATOS S; LEICKNAM JC; BORGIS D; STAIB A
      SUBPICOSECOND PUMP-PROBE ABSORPTION OF THE HYDRATED ELECTRON - NONLINEAR RESPONSE THEORY AND COMPUTER-SIMULATION

      Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
    15. BITTNER ER; SCHWARTZ BJ; ROSSKY PJ
      QUANTUM DECOHERENCE - A CONSISTENT HISTORIES TREATMENT OF CONDENSED-PHASE NONADIABATIC QUANTUM MOLECULAR-DYNAMICS

      Journal of molecular structure. Theochem
    16. ZHU LY; WIDOM A; CHAMPION PM
      A MULTIDIMENSIONAL LANDAU-ZENER DESCRIPTION OF CHEMICAL-REACTION DYNAMICS AND VIBRATIONAL COHERENCE

      The Journal of chemical physics
    17. PREZHDO OV; ROSSKY PJ
      EVALUATION OF QUANTUM TRANSITION RATES FROM QUANTUM-CLASSICAL MOLECULAR-DYNAMICS SIMULATIONS

      The Journal of chemical physics
    18. MORELLI J; HAMMESSCHIFFER S
      SURFACE HOPPING AND FULLY QUANTUM DYNAMICAL WAVEPACKET PROPAGATION ONMULTIPLE COUPLED ADIABATIC POTENTIAL SURFACES FOR PROTON-TRANSFER REACTIONS

      Chemical physics letters
    19. SCHMIDT RG; BRICKMANN J
      MOLECULAR-DYNAMICS SIMULATION OF THE PROTON TRANSPORT IN WATER

      Berichte der Bunsengesellschaft fur Physikalische Chemie
    20. GRAF P; NITZAN A; DIERCKSEN GHF
      PHENOMENOLOGY OF ELECTRON SOLVATION IN POLAR FLUIDS

      Journal of physical chemistry
    21. PREZHDO OV; ROSSKY PJ
      SOLVENT MODE PARTICIPATION IN THE NONRADIATIVE RELAXATION OF THE HYDRATED ELECTRON

      Journal of physical chemistry
    22. FANG JY; MARTENS CC
      AN EFFECTIVE HAMILTONIAN-BASED METHOD FOR MIXED QUANTUM-CLASSICAL DYNAMICS ON COUPLED ELECTRONIC SURFACES

      The Journal of chemical physics
    23. STAIB A; BORGIS D
      MOLECULAR-DYNAMICS SIMULATION OF AN EXCESS CHARGE IN WATER USING MOBILE GAUSSIAN-ORBITALS

      The Journal of chemical physics
    24. KRYLOV AI; GERBER RB; APKARIAN VA
      ADIABATIC APPROXIMATION AND NONADIABATIC EFFECTS FOR OPEN-SHELL ATOMSIN AN INERT SOLVENT - F-ATOMS IN SOLID KR

      Chemical physics
    25. SCHWARTZ BJ; ROSSKY PJ
      AQUEOUS SOLVATION DYNAMICS WITH A QUANTUM-MECHANICAL SOLUTE - COMPUTER-SIMULATION STUDIES OF THE PHOTOEXCITED HYDRATED ELECTRON

      The Journal of chemical physics
    26. BLAKE NP; METIU H
      ABSORPTION-SPECTRUM CALCULATIONS FOR A SYSTEM HAVING A FEW QUANTUM AND MANY CLASSICAL DEGREES OF FREEDOM

      The Journal of chemical physics
    27. EVANS DG; COALSON RD
      RELAXATION THEORY FOR CURVE-CROSSING CORRECTIONS TO ELECTRONIC ABSORPTION-LINE SHAPES IN CONDENSED PHASES

      The Journal of chemical physics
    28. MURPHREY TH; ROSSKY PJ
      THE ROLE OF SOLVENT INTRAMOLECULAR MODES IN EXCESS ELECTRON SOLVATIONDYNAMICS

      The Journal of chemical physics


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 25/10/20 alle ore 06:18:25