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U-Shaped Temperature Dependence of Rate Constant of Intramolecular Photoinduced Charge Separation in Zinc―Porphyrin― Bridge―Quinone CompoundsKICHIGINA, Anna O; IONKIN, Vladimir N; IVANOV, Anatoly I et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 24, pp 7426-7435, issn 1520-6106, 10 p.Article
Dynamic bond-order force field : Computational Electronics in Asia and Selected Papers from IWCE 2009 in BeijingWATANABE, Takanobu.Journal of computational electronics (Print). 2011, Vol 10, Num 1-2, pp 2-20, issn 1569-8025, 19 p.Article
Partial cross sections in the predissociation of quasibound states of NeHF. An adiabatic channel interpretationHOVINGH, W. J; PARSON, R.Chemical physics letters. 1993, Vol 204, Num 3-4, pp 369-374, issn 0009-2614Article
Simulation of a system of combined heat shield of the radiation-evaporation typeKURYACHII, A. P.High temperature. 1993, Vol 31, Num 5, pp 704-713, issn 0018-151XArticle
Theory of thermal unimolecular reactions at low pressures. III: Superposition of weak and strong collisionsTROE, J.The Journal of chemical physics. 1992, Vol 97, Num 1, pp 288-292, issn 0021-9606Article
Unimolecular fragmentation rate theory revisited : an improved classical theoryZHAO, M; RICE, S. A.The Journal of chemical physics. 1992, Vol 96, Num 5, pp 3542-3548, issn 0021-9606Article
Accelerated molecular dynamics simulation with the parallel fast multipole algorithmBOARD, J. A; CAUSEY, J. W; LEATHRUM, F. F et al.Chemical physics letters. 1992, Vol 198, Num 1-2, pp 89-94, issn 0009-2614Article
Real-time dynamics of clusters. III: I2Nen (n=2-4), picosecond fragmentation, and evaporationGUTMANN, M; WILLBERG, D. M; ZEWAIL, A. H et al.The Journal of chemical physics. 1992, Vol 97, Num 11, pp 8048-8059, issn 0021-9606Article
The diabatic approximation in the classical frameVILLARREAL, P; MIRET-ARTES, S; RONCERO, O et al.Journal of molecular structure. Theochem. 1992, Vol 254, pp 117-123, issn 0166-1280Conference Paper
Afterglow of inert-gas discharges in the VUVGABRIELYAN, Y. K; PAPANYAN, V. O; TER-AVETISYAN, S. A et al.Optics and spectroscopy. 1991, Vol 70, Num 5, pp 568-571, issn 0030-400XArticle
Influence of vibrational frequency mismatch on phase-space bottlenecks to intramolecular energy redistribution and molecular fragmentationTERSIGNI, S. H; GASPARD, P; RICE, S. A et al.The Journal of chemical physics. 1990, Vol 92, Num 3, pp 1775-1789, issn 0021-9606Article
Singlet excitation energy transfer in conformationally restricted zinc-free-base hybrid diporphyrinsOSUKA, A; MARUYAMA, K; YAMAZAKI, I et al.Chemical physics letters. 1990, Vol 165, Num 5, pp 392-396, issn 0009-2614Article
Intramolecular and reactive dynamics of OH-overtone excited HOOH (D) : a classical trajectory study on a quasiseparable potential surfaceGENTINO, C; SUMPTER, B. G; SANTAMARIA, J et al.Chemical physics. 1990, Vol 145, Num 1, pp 1-17, issn 0301-0104, 17 p.Article
Intramolecular vibrational distribution in IR multiphoton excited CF3CH2OHMALINOVSKY, A. L; RYABOV, E. A.Chemical physics. 1990, Vol 145, Num 3, pp 389-395, issn 0301-0104, 7 p.Article
Classical dynamics of collision-initiated intramolecular energy flow between metal…diatom bondsSHIN, H. K.The Journal of chemical physics. 1989, Vol 91, Num 2, pp 929-937, issn 0021-9606Article
Classical mechanics of intramolecular vibrational energy flow in benzene. V: Effect of zero-point energy motionDA-HONG LU; HASE, W. L.The Journal of chemical physics. 1989, Vol 91, Num 12, pp 7490-7497, issn 0021-9606Article
Quantal approach to study the structure of triatomic I2…X (X=He, Ne) VDW clustersGARCIA-VELA, A; VILLARREAL, P; DELGADO-BARRIO, G et al.International journal of quantum chemistry. 1989, Vol 36, Num 5, pp 633-646, issn 0020-7608Article
Reactant states model: predicted k(EmJ) for NO2(2A1)→O(3P)+NO(2Π), based on spectroscopic dataTOSELLI, B. M; BARKER, J. R.The Journal of chemical physics. 1989, Vol 91, Num 4, pp 2239-2253, issn 0021-9606Article
Rovibrational energy transfer in D2CO: evidence of an intramolecular mechanism from studies of D2CO/N2O collisionsBEWICK, C. P; ORR, B. J.Chemical physics letters. 1989, Vol 159, Num 1, pp 73-78, issn 0009-2614Article
A model for impulsive mode-mode energy transfer in highly vibrationally excited moleculesMULLER, R. P; HUTCHINSON, J. S; HOLME, T. A et al.The Journal of chemical physics. 1989, Vol 90, Num 8, pp 4582-4593, issn 0021-9606, 12 p.Article
Classical dynamics of trans-diimide: intramolecular vibrational relaxation involving an active torsionSPEARS, L. G. JR; HUTCHINSON, J. S.The Journal of chemical physics. 1988, Vol 88, Num 1, pp 240-249, issn 0021-9606Article
Application of artificial intelligence methods to intramolecular dynamics calculationsLEDERMAN, S. M; KLIPPENSTEIN, S. J; MARCUS, R. A et al.Chemical physics letters. 1988, Vol 146, Num 1-2, pp 7-12, issn 0009-2614Article
Interpretation of the IR spectral intensity anomaly of HCN by potential energy surface bifurcation along a normal modeQUAPP, W; HEIDRICH, D.Infrared physics. 1988, Vol 28, Num 2, pp 83-89, issn 0020-0891Article
On the theory of intramolecular vibrational relaxation in highly excited polyatomic molecules: quasi-harmonic versus random-phase approximationSTUCHEBRUKHOV, A. A.Chemical physics letters. 1988, Vol 145, Num 5, pp 387-392, issn 0009-2614Article
Dynamics of intramolecular vibrational energy redistribution in deuteriated anthracenes: rotational band contour analysis and time-resolved measurementsPENG, L. W; KEELAN, B. W; SEMMES, D. H et al.Journal of physical chemistry (1952). 1988, Vol 92, Num 19, pp 5540-5549, issn 0022-3654Article