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    1. Vikhrenko, VS; Schwarzer, D; Schroeder, J
      Microscopic description of vibrational energy relaxation in supercritical fluids: On the dominance of binary solute-solvent contributions

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    2. Grigoleit, U; Lenzer, T; Luther, K; Mutzel, M; Takahara, A
      Collisional energy transfer of highly vibrationally excited toluene and pyrazine: Transition probabilities and relaxation pathways from KCSI experiments and trajectory calculations

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    3. Wright, SMA; Sims, IR; Smith, IWM
      Vibrational relaxation of highly excited NCNO in collisions with He, Ar and N-2

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    4. Kab, G; Vikhrenko, VS
      Vibrational cooling of a highly excited anharmonic oscillator: Evidence for strong vibration-rotation coupling during relaxation

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    5. Shi, QC; Kais, S; Remacle, F; Levine, RD
      Electronic isomerism: Symmetry breaking and electronic phase diagrams for diatomic molecules at the large-dimension limit

      CHEMPHYSCHEM
    6. van Hecke, C; Sadovskii, DA; Zhilinskii, BI; Boudon, V
      Rotational-vibrational relative equilibria and the structure of quantum energy spectrum of the tetrahedral molecule P-4

      EUROPEAN PHYSICAL JOURNAL D
    7. Halfmann, T; Bohmer, K; Yatsenko, LP; Horsmans, A; Bergmann, K
      Coherent population trapping involving Rydberg states in xenon probed by ionization suppression

      EUROPEAN PHYSICAL JOURNAL D
    8. Paramonov, GK; Naundorf, H; Kuhn, O
      Ultrafast multidimensional dynamics of strong hydrogen bonds - A Cartesianreaction surface approach

      EUROPEAN PHYSICAL JOURNAL D
    9. Hay, N; de Nalda, R; Halfmann, T; Mendham, KJ; Mason, MB; Castillejo, M; Marangos, JP
      High-order harmonic generation from organic molecules in ultra-short pulses

      EUROPEAN PHYSICAL JOURNAL D
    10. Lehr, L; Weinkauf, R; Schlag, EW
      Separation of neutral versus cationic dissociation processes in an ultracompact double time-of-flight spectrometer: first results on CH3I

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    11. Mamyrin, BA
      Time-of-flight mass spectrometry (concepts, achievements, and prospects)

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    12. Klar, D; Ruf, MW; Hotop, H
      Dissociative electron attachment to CCl4 molecules at low electron energies with meV resolution

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    13. Vasil'ev, YV; Muftakhov, MV; Tuimedov, GM; Khatymov, RV; Abzalimov, RR; Mazunov, VA; Drewello, T
      Specific formation of (M-H)(-) ions from OH-group-containing molecules

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    14. Jarvis, GK; Kennedy, RA; Mayhew, CA
      Investigations of low energy electron attachment to ground state group 6B hexafluorides (SF6, SeF6, and TeF6) using an electron-swarm mass spectrometric technique

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    15. Bouvier, AJ; Wannous, G; Churassy, S; Bacis, R; Brion, J; Malicet, J; Judge, RH
      Spectroscopy and predissociation of the (3)A(2) electronic state of ozone O-16(3) and O-18(3) by high resolution Fourier transform spectrometry

      SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
    16. Shaji, S; Rasheed, TMA
      Vibrational overtone spectra of chloroanilines - evidence for intramolecular hydrogen bonding in o-chloroaniline

      SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
    17. Ervin, KM; Ramond, TM; Davico, GE; Schwartz, RL; Casey, SM; Lineberger, WC
      Naphthyl radical: Negative ion photoelectron spectroscopy, Franck-Condon simulation, and thermochemistry

      JOURNAL OF PHYSICAL CHEMISTRY A
    18. Lovejoy, ER; Curtius, J
      Cluster ion thermal decomposition (II): Master equation modeling in the low-pressure limit and fall-off regions. Bond energies for HSO4-(H2SO4)(x)(HNO3)(y)

      JOURNAL OF PHYSICAL CHEMISTRY A
    19. Bernshtein, V; Oref, I
      Gateway modes for collisional energy transfer between benzene and Ar

      JOURNAL OF PHYSICAL CHEMISTRY A
    20. Nakajima, T; Kato, S
      Theoretical study of the effect of the intermolecular spin-orbit interaction in the collision-induced intersystem crossing of S-1 state glyoxal by Ar

      JOURNAL OF PHYSICAL CHEMISTRY A
    21. Ruud, K; Astrand, PO; Taylor, PR
      Molecular magnetizabilities: Zero-point vibrational effects and the breakdown of Pascal's rule

      JOURNAL OF PHYSICAL CHEMISTRY A
    22. Byrd, EFC; Sherrill, CD; Head-Gordon, M
      The theoretical prediction of molecular radical species: a systematic study of equilibrium geometries and harmonic vibrational frequencies

      JOURNAL OF PHYSICAL CHEMISTRY A
    23. Millefiori, S; Alparone, A
      Ab initio study of the structure and polarizability of sulfur clusters, S-n (n=2-12)

      JOURNAL OF PHYSICAL CHEMISTRY A
    24. Tzallas, P; Kosmidis, C; Ledingham, KWD; Singhal, RP; McCanny, T; Graham, P; Hankin, SM; Taday, PF; Langley, AJ
      On the multielectron dissociative ionization of some cyclic aromatic molecules induced by strong laser fields

      JOURNAL OF PHYSICAL CHEMISTRY A
    25. Lin, H; Burger, H; He, SG; Yuan, LF; Breidung, J; Thiel, W
      Overtones of the Si-H stretching-bending polyad in SiHD3: Internal coordinate force field, ab initio dipole moment surfaces, and band intensities

      JOURNAL OF PHYSICAL CHEMISTRY A
    26. Kono, H; Koseki, S; Shiota, M; Fujimura, Y
      A theoretical study of electronic dynamics and deformation of CO2 in intense laser fields

      JOURNAL OF PHYSICAL CHEMISTRY A
    27. Sando, GM; Spears, KG; Hupp, JT; Ruhoff, PT
      Large electron transfer rate effects from the Duschinsky mixing of vibrations

      JOURNAL OF PHYSICAL CHEMISTRY A
    28. Sando, GM; Spears, KG
      Ab initio computation of the Duschinsky mixing of vibrations and nonlineareffects

      JOURNAL OF PHYSICAL CHEMISTRY A
    29. Wu, CY; Xiong, YJ; Ji, N; He, Y; Gao, Z; Kong, F
      Field ionization of aliphatic ketones by intense femtosecond laser

      JOURNAL OF PHYSICAL CHEMISTRY A
    30. Garavelli, M; Page, CS; Celani, P; Olivucci, M; Schmid, WE; Trushin, SA; Fuss, W
      Reaction path of a sub-200 fs photochemical electrocyclic reaction

      JOURNAL OF PHYSICAL CHEMISTRY A
    31. Higgins, C; Ju, Q; Seiser, N; Flynn, GW; Chapman, S
      Classical trajectory study of energy transfer in pyrazine-CO collisions

      JOURNAL OF PHYSICAL CHEMISTRY A
    32. Fermann, JT; Auerbach, SM
      Modeling proton mobility in acidic zeolite clusters. 3. A sudden approximation via semiclassical rate theory

      JOURNAL OF PHYSICAL CHEMISTRY A
    33. Drahos, L; Vekey, K
      MassKinetics: a theoretical model of mass spectra incorporating physical processes, reaction kinetics and mathematical descriptions

      JOURNAL OF MASS SPECTROMETRY
    34. Gu, XY; Duan, B; Ma, ZQ
      Independent eigenstates of angular momentum in a quantum N-body system - art. no. 042108

      PHYSICAL REVIEW A
    35. Hankin, SM; Villeneuve, DM; Corkum, PB; Rayner, DM
      Intense-field laser ionization rates in atoms and molecules - art. no. 013405

      PHYSICAL REVIEW A
    36. Eichinger, BE; Wimmer, E; Pretorius, J
      The structure of amorphous sulfur

      MACROMOLECULAR SYMPOSIA
    37. Wu, CY; Gong, QH
      Field ionization of molecules in an intense laser field

      CHINESE PHYSICS
    38. Zhou, ZY; Chen, G; Zhou, XM; Fu, H
      Studies on the mechanism for the bimolecular metathesis reaction CH3+HCl double left right arrow CH4+Cl

      CHINESE JOURNAL OF CHEMISTRY
    39. Gianturco, FA; Stoecklin, T
      Low-energy electron scattering from CO2 molecules: elastic channel calculations revisited

      JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
    40. Baluja, KL; Mason, NJ; Morgan, LA; Tennyson, J
      Electron collisions with OClO using the R-matrix method

      JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
    41. Baluja, KL; Mason, NJ; Morgan, LA; Tennyson, J
      Electron collisions with Cl2O using the R-matrix method

      JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
    42. Curik, R; Gianturco, FA; Lucchese, RR; Sanna, N
      Low-energy electron scattering and resonant states of NO2((X)over-tilde (2)A(1))

      JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
    43. Colognesi, D; Degiorgi, E; Pace, E
      Deep inelastic neutron scattering from freely rotating molecules

      PHYSICA B
    44. Quack, M; Stohner, J
      Molecular chirality and the fundamental symmetries of physics: Influence of parity violation on rovibrational frequencies and thermodynamic properties

      CHIRALITY
    45. Zhou, XG; Li, J; Wang, Z; Yu, SQ; Ma, XX
      Ab initio calculation on the mechanism for the reaction CH3+OClO

      ACTA CHIMICA SINICA
    46. Barker, JR
      Multiple-well, multiple-path unimolecular reaction systems. I. MultiWell computer program suite

      INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
    47. Rodrigues, LMCS; Wulck, S
      Non-relativistic q-gases with low critical temperatures

      PHYSICA A
    48. Gu, XY; Duan, B; Ma, ZQ
      Generalized radial equations in a quantum N-body system with non-orthogonal coordinates

      PHYSICS LETTERS A
    49. Duan, HM; Zheng, QQ
      Symmetry and magnetic properties of transition metal clusters

      PHYSICS LETTERS A
    50. Lee, SM; An, KH; Lee, YH; Seifert, G; Frauenheim, T
      Novel mechanism of hydrogen storage in carbon nanotubes

      JOURNAL OF THE KOREAN PHYSICAL SOCIETY
    51. Zhilinskii, BI
      Symmetry, invariants, and topology in molecular models

      PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS
    52. Gillen, RC; Ostojic, B; Domcke, W
      Theoretical investigation of (A)over-tilde(2)Sigma(+)(g)-(X)over-tilde(2)Pi(u) vibronic-coupling and ultrafast internal-conversion dynamics in the acetylene cation

      CHEMICAL PHYSICS
    53. Stener, M; Decleva, P; Cacelli, I; Moccia, R; Montuoro, R
      Response function study of CO photoionization: ab initio SCF and density functional results

      CHEMICAL PHYSICS
    54. Markevitch, AN; Moore, NP; Levis, RJ
      The influence of molecular structure on strong field energy coupling and partitioning

      CHEMICAL PHYSICS
    55. Walther, C; Herlert, A; Kim, JI; Scherbaum, FJ; Schweikhard, L; Vogel, M
      Absolute cross-sections for the nonresonant multi-photon ionization of toluene and xylene in the gas phase

      CHEMICAL PHYSICS
    56. Carravetta, V; Plashkevych, O; Agren, H
      A screened static-exchange potential for core electron excitations

      CHEMICAL PHYSICS
    57. Smedarchina, Z; Fernandez-Ramos, A; Siebrand, W
      Software news and updates - DOIT: A program to calculate thermal rate constants and mode-specific tunneling splittings directly from quantum-chemicalcalculations

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    58. De Oliveira, G; Martin, JML; Silwal, IKC; Liebman, JF
      Definitive heat of formation of methylenimine, CH2 = NH, and of methylenimmonium ion, CH2NH2+, by means of W2 theory

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    59. Budde, M; Cheney, CP; Lupke, G; Tolk, NH; Feldman, LC
      Vibrational dynamics of bond-center hydrogen in crystalline silicon - art.no. 195203

      PHYSICAL REVIEW B
    60. Silva, M; Jongma, R; Field, RW; Wodtke, AM
      The dynamics of "stretched molecules": Experimental studies of highly vibrationally excited molecules with stimulated emission pumping

      ANNUAL REVIEW OF PHYSICAL CHEMISTRY
    61. Tennyson, J; Zobov, NF; Williamson, R; Polyansky, OL; Bernath, PF
      Experimental energy levels of the water molecule

      JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA
    62. Christophorou, LG; Olthoff, JK
      Electron interactions with c-C4F8

      JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA
    63. Gao, YQ; Marcus, RA
      Strange and unconventional isotope effects in ozone formation

      SCIENCE
    64. Levis, RJ; Menkir, GM; Rabitz, H
      Selective bond dissociation and rearrangement with optimally tailored, strong-field laser pulses

      SCIENCE
    65. Gribov, LA
      Higher approximations in the theory of isomer-isomer phototransformations of molecules

      RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY
    66. Zalesskaya, GA; Yakovlev, DL; Sambor, EG; Prikhodchenko, DV
      Influence of short- and long-range interaction forces on the efficiency ofcollisional vibrational energy transfer in the vibrational quasi-continuum

      OPTICS AND SPECTROSCOPY
    67. Kochikov, IV; Tarasov, YI; Spiridonov, VP; Kuramshina, GM; Rankin, DWH; Saakjan, AS; Yagola, AG
      The equilibrium structure of thiophene by the combined use of electron diffraction, vibrational spectroscopy and microwave spectroscopy guided by theoretical calculations

      JOURNAL OF MOLECULAR STRUCTURE
    68. Watson, JKG
      Calculated vibrational intensities in the (A)over-tilde-(X)over-tilde electronic transition of acetylene

      JOURNAL OF MOLECULAR SPECTROSCOPY
    69. Atkinson, IA; Law, MM
      Fourier transform infrared spectra of CH2DF: The nu(5) and nu(6) bands

      JOURNAL OF MOLECULAR SPECTROSCOPY
    70. Sinnokrot, MO; Sherrill, CD
      Density functional theory predictions of anharmonicity and spectroscopic constants for diatomic molecules

      JOURNAL OF CHEMICAL PHYSICS
    71. Chaban, GM; Gerber, RB
      Anharmonic vibrational spectroscopy of the glycine-water complex: Calculations for ab initio, empirical, and hybrid quantum mechanics/molecular mechanics potentials

      JOURNAL OF CHEMICAL PHYSICS
    72. Petsalakis, ID; Theodorakopoulos, G; Child, MS
      The Rydberg states of NO2: Vibrational autoionization of the nd sigma states

      JOURNAL OF CHEMICAL PHYSICS
    73. Wang, XG; Carrington, T
      Six-dimensional variational calculation of the bending energy levels of HFtrimer and DF trimer

      JOURNAL OF CHEMICAL PHYSICS
    74. Reimers, JR
      A practical method for the use of curvilinear coordinates in calculations of normal-mode-projected displacements and Duschinsky rotation matrices forlarge molecules

      JOURNAL OF CHEMICAL PHYSICS
    75. Levinger, NE; Davis, PH; Fayer, MD
      Vibrational relaxation of the free terminal hydroxyl stretch in methanol oligomers: Indirect pathway to hydrogen bond breaking

      JOURNAL OF CHEMICAL PHYSICS
    76. Lim, M; Hochstrasser, RM
      Unusual vibrational dynamics of the acetic acid dimer

      JOURNAL OF CHEMICAL PHYSICS
    77. Cheatum, CM; Heckscher, MM; Bingemann, D; Crim, FF
      CH2I2 fundamental vibrational relaxation in solution studied by transient electronic absorption spectroscopy

      JOURNAL OF CHEMICAL PHYSICS
    78. MacDowell, LG; Vega, C; Sanz, E
      Equation of state of model branched alkanes: Theoretical predictions and configurational bias Monte Carlo simulations

      JOURNAL OF CHEMICAL PHYSICS
    79. Cherayil, BJ
      Quantum correction factors for multiphonon processes in condensed phase vibrational relaxation

      JOURNAL OF CHEMICAL PHYSICS
    80. Myers, DJ; Shigeiwa, M; Cherayil, BJ; Fayer, MD
      Temperature and density dependent solute vibrational relaxation in supercritical fluoroform

      JOURNAL OF CHEMICAL PHYSICS
    81. Lochbrunner, S; Schultz, T; Schmitt, M; Shaffer, JP; Zgierski, MZ; Stolow, A
      Dynamics of excited-state proton transfer systems via time-resolved photoelectron spectroscopy

      JOURNAL OF CHEMICAL PHYSICS
    82. Pesonen, J
      Vibration-rotation kinetic energy operators: A geometric algebra approach

      JOURNAL OF CHEMICAL PHYSICS
    83. Rak, J; Skurski, P; Gutowski, M
      An ab initio study of the betaine anion-dipole-bound anionic state of a model zwitterion system

      JOURNAL OF CHEMICAL PHYSICS
    84. Shi, QC; Kais, S; Remacle, F; Levine, RD
      On the crossing of electronic energy levels of diatomic molecules at the large-D limit

      JOURNAL OF CHEMICAL PHYSICS
    85. Liu, JB; Kim, HT; Anderson, SL
      Multiphoton ionization and photoelectron spectroscopy of formaldehyde via its 3p Rydberg states

      JOURNAL OF CHEMICAL PHYSICS
    86. Sako, T; Yamanouchi, K; Iachello, F
      Classical-limit analysis of the normal-to-local transition by the algebraic effective Hamiltonian approach

      JOURNAL OF CHEMICAL PHYSICS
    87. Eckart, U; Ingamells, VE; Papadopoulos, MG; Sadlej, AJ
      Vibrational effects on electric properties of cyclopropenone and cyclopropenethione

      JOURNAL OF CHEMICAL PHYSICS
    88. Dallos, M; Muller, T; Lischka, H; Shepard, R
      Geometry optimization of excited valence states of formaldehyde using analytical multireference configuration interaction singles and doubles and multireference averaged quadratic coupled-cluster gradients, and the conical intersection formed by the 1 B-1(1)(sigma-pi(*)) and 2 (1)A(1)(pi-pi(*)) states

      JOURNAL OF CHEMICAL PHYSICS
    89. Cohen, RD; Sherrill, CD
      The performance of density functional theory for equilibrium molecular properties of symmetry breaking molecules

      JOURNAL OF CHEMICAL PHYSICS
    90. Jonsson, D; Norman, P; Agren, H; Rizzo, A; Coriani, S; Ruud, K
      The Cotton-Mouton effect of gaseous CO2, N2O, OCS, and CS2. A cubic response multiconfigurational self-consistent field study

      JOURNAL OF CHEMICAL PHYSICS
    91. Foster, CE; Barham, BP; Reid, PJ
      Resonance Raman intensity analysis of chlorine dioxide dissolved in chloroform: The role of nonpolar solvation

      JOURNAL OF CHEMICAL PHYSICS
    92. Lauvergnat, D; Nauts, A; Justum, Y; Chapuisat, X
      A harmonic adiabatic approximation to calculate highly excited vibrationallevels of "floppy molecules"

      JOURNAL OF CHEMICAL PHYSICS
    93. Itakura, R; Watanabe, J; Hishikawa, A; Yamanouchi, K
      Ionization and fragmentation dynamics of benzene in intense laser fields by tandem mass spectroscopy

      JOURNAL OF CHEMICAL PHYSICS
    94. Balawender, R; De Proft, F; Geerlings, P
      Nuclear Fukui function and Berlin's binding function: Prediction of the Jahn-Teller distortion

      JOURNAL OF CHEMICAL PHYSICS
    95. Okuno, Y
      Expressing kinetic-energy for vibration-rotation motions in general rotating systems of axes and introducing quasirectilinear vibrational coordinatesto simplify Hamiltonian forms

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    96. Potapov, VK; Matyuk, VM
      Two-photon photochemical reactions of aromatic compounds in the gas phase

      HIGH ENERGY CHEMISTRY
    97. Gottselig, M; Luckhaus, D; Quack, M; Stohner, J; Willeke, M
      Mode selective stereomutation and parity violation in disulfane isotopomers H2S2, D2S2, T2S2

      HELVETICA CHIMICA ACTA
    98. Ribeiro, EMS; Machado, LE; Lee, TM; Brescansin, LM
      Application of the method of continued fractions to electron scattering bypolyatomic molecules

      COMPUTER PHYSICS COMMUNICATIONS
    99. Quack, M
      Molecules in motion

      CHIMIA
    100. Ohtsuki, Y; Sugawara, M; Kono, H; Fujimura, Y
      Quantum control of molecular reaction dynamics by laser pulses: Development of theory and its application

      BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN


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Documento generato il 04/08/20 alle ore 11:19:56