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1 |
Material Type: Artigo
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A complete basis set model chemistry. I: The total energies of closed-shell atoms and hydrides of the first-row elementsPETERSSON, G. A ; BENNETT, A ; TENSFELDT, T. G ; AL-LAHAM, M. A ; SHIRLEY, W. A ; MANTZARIS, JThe Journal of chemical physics, 1988-08, Vol.89 (4), p.2193-2218 [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 |
3 |
Material Type: Artigo
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Surface potential of the water liquid-vapor interfaceWilson, Michael A. ; Pohorille, Andrew ; Pratt, Lawrence R.The Journal of chemical physics, 1988-03, Vol.88 (5), p.3281-3285 [Periódico revisado por pares]Legacy CDMS: American Institute of PhysicsTexto completo disponível |
4 |
Material Type: Artigo
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Electron localization in water clusters. II: Surface and internal statesBARNETT, R. N ; LANDMAN, U ; CLEVELAND, C. L ; JORTNER, JThe Journal of chemical physics, 1988-04, Vol.88 (7), p.4429-4447 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
5 |
Material Type: Artigo
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Quantum mechanical rate constants for bimolecular reactionsMILLER, W. H ; SCHWARTZ, S. D ; TROMP, J. WThe Journal of chemical physics, 1983-11, Vol.79 (10), p.4889-4898 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
6 |
Material Type: Artigo
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Time-dependent self-consistent field (TDSCF) approximation for a reaction coordinate coupled to a harmonic bath: single and multiple configuration treatmentsMAKRI, N ; MILLER, W. HThe Journal of chemical physics, 1987-11, Vol.87 (10), p.5781-5787 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
7 |
Material Type: Artigo
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Relaxation dynamics following transition of solvated electronsBARNETT, R. B ; LANDMAN, U ; NITZAN, AThe Journal of chemical physics, 1989-04, Vol.90 (8), p.4413-4422 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
8 |
Material Type: Artigo
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Reaction surface description of intramolecular hydrogen atom transfer in malonaldehydeCARRINGTON, T. JR ; MILLER, W. HThe Journal of chemical physics, 1986-04, Vol.84 (8), p.4364-4370 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
9 |
Material Type: Artigo
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Computer simulation of ion recombination in irradiated nonpolar liquidsBARTCZAK, W. M ; HUMMEL, AThe Journal of chemical physics, 1987-11, Vol.87 (9), p.5222-5228 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
10 |
Material Type: Artigo
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A statistical method for identifying transition states in high dimensional problemsPRATT, L. RThe Journal of chemical physics, 1986-11, Vol.85 (9), p.5045-5048 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |