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Material Type: Artigo
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Ab initio based tight-binding molecular dynamics simulation of the sticking and scattering of O 2 ∕ Pt ( 111 )Groß, A. ; Eichler, A. ; Hafner, J. ; Mehl, M. J. ; Papaconstantopoulos, D. A.The Journal of chemical physics, 2006-05, Vol.124 (17), p.174713-174713-7 [Periódico revisado por pares]American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Ab initio calculations of structures and interaction energies of toluene dimers including CCSD(T) level electron correlation correctionTsuzuki, Seiji ; Honda, Kazumasa ; Uchimaru, Tadafumi ; Mikami, MasuhiroThe Journal of chemical physics, 2005-04, Vol.122 (14), p.144323-144323 [Periódico revisado por pares]United StatesTexto completo disponível |
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Material Type: Artigo
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Ab initio characterization of the Ne-I 2 van der Waals complex: Intermolecular potentials and vibrational bound statesDelgado-Tellez, Laura ; Valdés, Álvaro ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado-Barrio, GerardoThe Journal of chemical physics, 2011-06, Vol.134 (21), p.214304-214304-9 [Periódico revisado por pares]American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Ab initio potential energy surface and bound states for the Kr-OCS complexFeng, Eryin ; Sun, Chunyan ; Yu, Chunhua ; Shao, Xi ; Huang, WuyingThe Journal of chemical physics, 2011-09, Vol.135 (12), p.124301-124301-6 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Ab initio potential energy surface and microwave spectrum of the NH3–N2 van der Waals complexSurin, Leonid A. ; Tarabukin, Ivan V. ; Hermanns, Marius ; Heyne, Bettina ; Schlemmer, Stephan ; Kalugina, Yulia N. ; van der Avoird, AdThe Journal of chemical physics, 2020-06, Vol.152 (23), p.234304-234304 [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Ab initio potential energy surface and spectrum of the B ( Π 3 ) stateof the He I 2 complexValdés, Álvaro ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado-Barrio, Gerardo ; Werner, Hans-JoachimThe Journal of chemical physics, 2007-05, Vol.126 (20), p.204301-204301-9 [Periódico revisado por pares]American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Ab initio potential energy surface, infrared spectra, and dynamicsof the ion-molecule complexes between Br − and H 2 , D 2 , and HDGrinev, T. A. ; Buchachenko, A. A. ; Kłos, J. ; Bieske, E. J.The Journal of chemical physics, 2006-09, Vol.125 (11), p.114313-114313-8 [Periódico revisado por pares]American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Ab initio studies on the van der Waals complexes of polycyclic aromatic hydrocarbons. I. Benzene–naphthalene complexLee, Nam Ki ; Park, Soonyong ; Kim, Seong KeunThe Journal of chemical physics, 2002-05, Vol.116 (18), p.7902-7909 [Periódico revisado por pares]Texto completo disponível |
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Material Type: Artigo
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Ab initio vibrational predissociation dynamics of He - I 2 ( B ) complexValdés, Álvaro ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado-Barrio, Gerardo ; Lemoine, Didier ; Lepetit, BrunoThe Journal of chemical physics, 2007-06, Vol.126 (24), p.244314-244314-7 [Periódico revisado por pares]American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Active control of the lifetime of excited resonance states by means of laser pulsesGarcía-Vela, A.The Journal of chemical physics, 2012-04, Vol.136 (13), p.134304-134304-8 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |