Ab initio study of the resonant electron attachment to the F2 molecule (English)
- New search for: Brems, V.
- New search for: Brems, V.
- New search for: Beyer, T.
- New search for: Nestmann, B.M.
- New search for: Meyer, H.-D.
- New search for: Cederbaum, L.S.
In:
The journal of chemical physics
;
117
, 23
; 10635-10647
;
2002
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ISSN:
- Article (Journal) / Print
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Title:Ab initio study of the resonant electron attachment to the F2 molecule
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Contributors:
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Published in:The journal of chemical physics ; 117, 23 ; 10635-10647
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Publisher:
- New search for: AIP
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Place of publication:Melville, NY
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Publication date:2002
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ISSN:
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ZDBID:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 35.10
- Further information on Basic classification
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Keywords:
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Classification:
BKL: 35.10 Physikalische Chemie: Allgemeines -
Source:
Table of contents – Volume 117, Issue 23
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 10441
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Dramatic relativistic effects in atomization energy and volatility of the superheavy Hassium tetroxide and OsO4Malli, Gulzari L. et al. | 2002
- 10444
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Fiber-loop ring-down spectroscopyBrown, R. Stephen / Kozin, Igor / Tong, Zhaoguo / Oleschuk, Richard D. / Loock, Hans-Peter et al. | 2002
- 10448
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Entanglement effects in mode coupling theories of polymersMiyazaki, Kunimasa / Yethiraj, Arun et al. | 2002
- 10452
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Designing reversible measure invariant algorithms with applications to molecular dynamicsLegoll, Fre´de´ric / Monneau, Re´gis et al. | 2002
- 10465
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Validation and assessment of an accurate approach to the correlation problem in density functional theory: The Kriger–Chen–Iafrate–Savin modelToulouse, Julien / Savin, Andreas / Adamo, Carlo et al. | 2002
- 10474
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On quantum trajectories and an uncertainty relationMcLafferty, Frank et al. | 2002
- 10478
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Pseudo Jahn–Teller origin of instability of molecular high-symmetry configurations: Novel numerical method and resultsBersuker, Isaac B. / Balabanov, Nikolai B. / Pekker, David / Boggs, James E. et al. | 2002
- 10487
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On using potential, gradient, and Hessian data in least squares fits of potentials: Application and tests for H2OXie, Tiao / Bowman, Joel M. et al. | 2002
- 10493
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Interelectronic angle densities of atomsKoga, Toshikatsu et al. | 2002
- 10499
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Benchmark calculations on high-dimensional Henon–Heiles potentials with the multi-configuration time dependent Hartree (MCTDH) methodNest, M. / Meyer, H.-D. et al. | 2002
- 10506
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Electron correlation and noninteracting v-representability in density functional theory: The Be isoelectronic seriesMorrison, Robert C. et al. | 2002
- 10512
-
Development of first-principles interaction model potentials. An application to the study of the bromide hydrationAyala, Regla / Martı´nez, Jose´ M. / Pappalardo, Rafael R. / Saint-Martı´n, Humberto / Ortega-Blake, Ivan / Sa´nchez Marcos, Enrique et al. | 2002
- 10525
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A novel perturbation-based complete active space–self-consistent-field algorithm: Application to the direct calculation of localized orbitalsAngeli, Celestino / Evangelisti, Stefano / Cimiraglia, Renzo / Maynau, Daniel et al. | 2002
- 10534
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Optimization of quantum mechanical molecular mechanical partitioning schemes: Gaussian delocalization of molecular mechanical charges and the double link atom methodDas, Debananda / Eurenius, Kirsten P. / Billings, Eric M. / Sherwood, Paul / Chatfield, David C. / Hodosˇcˇek, Milan / Brooks, Bernard R. et al. | 2002
- 10548
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Accurate correlation consistent basis sets for molecular core–valence correlation effects: The second row atoms Al–Ar, and the first row atoms B–Ne revisitedPeterson, Kirk A. / Dunning, Thom H. et al. | 2002
- 10561
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Are the maximum hardness and minimum polarizability principles always obeyed in nontotally symmetric vibrations?Torrent-Sucarrat, Miquel / Luis, Josep M. / Duran, Miquel / Sola`, Miquel et al. | 2002
- 10571
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On the use of ab initio interaction energies for the accurate calculation of thermodynamic propertiesGarrison, Stephen L. / Sandler, Stanley I. et al. | 2002
- 10581
-
Water vapor millimeter wave foreign continuum: A Lanczos calculation in the coordinate representationMa, Q. / Tipping, R. H. et al. | 2002
- 10597
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Density functional theory investigation of gold cluster geometry and gas-phase reactivity with O2Wells, David H. / Delgass, W. Nicholas / Thomson, Kendall T. et al. | 2002
- 10604
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HPO does not follow Walsh’s rules! Improved molecular structures from the spectroscopy of jet-cooled HPO and DPOTackett, Brandon S. / Clouthier, Dennis J. et al. | 2002
- 10613
-
Experimental and computational study of the new gaseous molecules OMnF and OMnF2Balducci, G. / Campodonico, M. / Gigli, G. / Meloni, G. / Cesaro, S. Nunziante et al. | 2002
- 10621
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The application of a vacuum ultraviolet Fourier transform spectrometer and synchrotron radiation source to measurements of: V. The b(11,0) band of NORufus, J. et al. | 2002
- 10621
-
The application of a vacuum ultraviolet Fourier transform spectrometer and synchrotron radiation source to measurements of: V. The β(11,0) band of NORufus, J. / Yoshino, K. / Thorne, A. P. / Murray, J. E. / Imajo, T. / Ito, K. / Matsui, T. et al. | 2002
- 10627
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Ab initio study of C60–silicon clustersMasenelli, B. / Tournus, F. / Me´linon, P. / Pe´rez, A. / Blase, X. et al. | 2002
- 10635
-
Ab initio study of the resonant electron attachment to the F2 moleculeBrems, V. / Beyer, T. / Nestmann, B. M. / Meyer, H.-D. / Cederbaum, L. S. et al. | 2002
- 10648
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Positive charge distribution in (benzene)1(toleune)2+ and (benzene)2(toluene)1+ studied by photodissociation spectroscopyInokuchi, Yoshiya / Ohashi, Kazuhiko / Sekiya, Hiroshi / Nishi, Nobuyuki et al. | 2002
- 10654
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Calculation of the Jahn-Teller effect in benzene cation: Application to spectral analysisApplegate, Brian E. / Miller, Terry A. et al. | 2002
- 10675
-
Tests of potential energy surfaces for H+CH4↔CH3+H2: Deuterium and muonium kinetic isotope effects for the forward and reverse reactionPu, Jingzhi / Truhlar, Donald G. et al. | 2002
- 10688
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The infrared and ultraviolet spectra of single conformations of methyl-capped dipeptides: N-acetyl tryptophan amide and N-acetyl tryptophan methyl amideDian, Brian C. / Longarte, Asier / Mercier, Sebastien / Evans, David A. / Wales, David J. / Zwier, Timothy S. et al. | 2002
- 10703
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Resonant two-photon ionization spectroscopy of NiCBrugh, Dale J. / Morse, Michael D. et al. | 2002
- 10715
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Structures of metallic clusters: Mono- and polyvalent metalsLai, S. K. / Hsu, P. J. / Wu, K. L. / Liu, W. K. / Iwamatsu, M. et al. | 2002
- 10726
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Thermodynamic consistency and integral equations for the liquid structureLeys, F. E. / March, N. H. / Lamoen, D. et al. | 2002
- 10730
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Diffusion of small light particles in a solvent of large massive moleculesMurarka, Rajesh K. / Bhattacharyya, Sarika / Bagchi, Biman et al. | 2002
- 10739
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Effects of nucleation transience on crystallization kinetics under strongly nonequilibrium conditionsDemetriou, Marios D. / Ghoniem, Nasr M. / Lavine, Adrienne S. et al. | 2002
- 10744
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Excited singlet (S1) state interactions of calixarenes with chloroalkanes: A combination of concerted and stepwise dissociative electron transfer mechanismMohanty, J. / Pal, H. / Nayak, S. K. / Chattopadhyay, S. / Sapre, A. V. et al. | 2002
- 10752
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High-frequency vibrational energy relaxation in liquids: The foundations of instantaneous-pair theory and some generalizationsDeng, Yuqing / Ladanyi, Branka M. / Stratt, Richard M. et al. | 2002
- 10768
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Membrane deformation and the elastic energy of insertion: Perturbation of membrane elastic constants due to peptide insertionPartenskii, Michael B. / Jordan, Peter C. et al. | 2002
- 10777
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Low melting temperature and liquid surface layering for pair potential modelsVelasco, E. / Tarazona, P. / Reinaldo-Falaga´n, M. / Chaco´n, E. et al. | 2002
- 10789
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Filling and emptying kinetics of carbon nanotubes in waterWaghe, Aparna / Rasaiah, Jayendran C. / Hummer, Gerhard et al. | 2002
- 10796
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Amorphous silica between confining walls and under shear: A computer simulation studyHorbach, Ju¨rgen / Binder, Kurt et al. | 2002
- 10805
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Abstraction of atomic hydrogen by atomic deuterium from an amorphous hydrogenated silicon surfaceAgarwal, Sumit / Takano, Akihiro / van de Sanden, M. C. M. / Maroudas, Dimitrios / Aydil, Eray S. et al. | 2002
- 10817
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Numerical computation of tunneling fluxesGalperin, Michael / Toledo, Sivan / Nitzan, Abraham et al. | 2002
- 10827
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Close packed transitions in slit-shaped pores: Density functional theory study of methane adsorption capacity in carbonNguyen, T. X. / Bhatia, S. K. / Nicholson, D. et al. | 2002
- 10837
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On the electrostatic potential profile in biased molecular wiresNitzan, Abraham / Galperin, Michael / Ingold, Gert-Ludwig / Grabert, Hermann et al. | 2002
- 10842
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Structure of the water ice surface studied by x-ray absorption spectroscopy at the O K-edgeParent, Ph. / Laffon, C. / Mangeney, C. / Bournel, F. / Tronc, M. et al. | 2002
- 10852
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Kinetic parameters of CO adsorbed on Pt(111) studied by in situ high resolution x-ray photoelectron spectroscopyKinne, M. / Fuhrmann, T. / Whelan, C. M. / Zhu, J. F. / Pantfo¨rder, J. / Probst, M. / Held, G. / Denecke, R. / Steinru¨ck, H.-P. et al. | 2002
- 10860
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Charge-dipole energy in imperfect molecular crystals: Application to carbazole in anthraceneTsiaousis, D. / Munn, R. W. et al. | 2002
- 10869
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Sequence dependence of polymer dynamics in quenched disordered media: Weak attraction facilitates transportLee, Sung-Joo E. / Chakraborty, Arup K. et al. | 2002
- 10877
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Femtosecond excitation tuning and site energy memory of population transfer in poly(p-phenylenevinylene): Gated luminescence experiments and simulationSperling, J. / Milota, F. / Tortschanoff, A. / Warmuth, Ch. / Mollay, B. / Ba¨ssler, H. / Kauffmann, H. F. et al. | 2002
- 10888
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Connectedness percolation in fluids of persistent chainsChatterjee, Avik P. et al. | 2002
- 10894
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Free energy disconnectivity graphs: Application to peptide modelsKrivov, Sergei V. / Karplus, Martin et al. | 2002