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1 |
Material Type: Artigo
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Gaussian-1 theory: A general procedure for prediction of molecular energiesPople, John A. ; Head-Gordon, Martin ; Fox, Douglas J. ; Raghavachari, Krishnan ; Curtiss, Larry A.The Journal of chemical physics, 1989-05, Vol.90 (10), p.5622-5629 [Periódico revisado por pares]Texto completo disponível |
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Material Type: Artigo
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Highly correlated systems. Excitation energies of first row transition metals Sc-CuKRISHNAN RAGHAVACHARI ; TRUCKS, G. WThe Journal of chemical physics, 1989-07, Vol.91 (2), p.1062-1065 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Molecular model for aqueous ferrous-ferric electron transferKUHARSKI, R. A ; BADER, J. S ; CHANDLER, D ; SPRIK, M ; KLEIN, M. L ; INPEY, R. WThe Journal of chemical physics, 1988-09, Vol.89 (5), p.3248-3257 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Two-dimensional imaging of state-selected photodissociation products detected by multiphoton ionizationCHANDLER, D. W ; HOUSTON, P. LThe Journal of chemical physics, 1987-07, Vol.87 (2), p.1445-1447 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Structure, stability, and fragmentation of small carbon clustersRAGHAVACHARI, K ; BINKLEY, J. SThe Journal of chemical physics, 1987-08, Vol.87 (4), p.2191-2197 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
6 |
Material Type: Artigo
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Self-consistent molecular orbital methods 25: supplementary functions for Gaussian basis setsFRISCH, M. J ; POPLE, J. A ; BINKLEY, J. SThe Journal of chemical physics, 1984-04, Vol.80 (7), p.3265-3269 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Local modes of benzene and benzene dimer, studied by infrared-ultraviolet double resonance in a supersonic beamPAGE, R. H ; SHEN, Y. R ; LEE, Y. TThe Journal of chemical physics, 1988-04, Vol.88 (8), p.4621-4636 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
8 |
Material Type: Artigo
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Desorption and trapping of argon at a 2H-W(100) surface and a test of the applicability of detailed balance to a nonequilibrium systemRETTNER, C. T ; SCHWEIZER, E. K ; MULLINS, C. BThe Journal of chemical physics, 1989-04, Vol.90 (7), p.3800-3813 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Electric field assisted dissociation of charge transfer states as a mechanism of photocarrier productionBRAUN, C. LThe Journal of chemical physics, 1984-05, Vol.80 (9), p.4157-4161 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
10 |
Material Type: Artigo
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Efficient molecular simulation of chemical potentialsDEITRICK, G. L ; SCRIVEN, L. E ; DAVIS, H. TThe Journal of chemical physics, 1989-02, Vol.90 (4), p.2370-2385 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |