CHITEL : XXIe congrès international des chimistes théoriciens d'expression latine (Grenoble, septembre 20-24, 1993)Congrès international des chimistes théoriciens d'expression latine. 1993, 2Vol, [300] pConference Proceedings

Quantum field methods in the theory of diffusion-controlled reactionsMIKHAILOV, A. S; YASHIN, V. V.Journal of statistical physics. 1985, Vol 38, Num 1-2, pp 347-359, issn 0022-4715Article

Realization of quantum chemistry without wave functions through first-order semidefinite programmingMAZZIOTTI, David A.Physical review letters. 2004, Vol 93, Num 21, pp 213001.1-213001.4, issn 0031-9007Article

Quantum mechanical rate constants for bimolecular reactionsMILLER, W. H; SCHWARTZ, S. D; TROMP, J. W et al.The Journal of chemical physics. 1983, Vol 79, Num 10, pp 4889-4898, issn 0021-9606Article

(4,4')-Bipyridine in vacuo and in solvents: a quantum chemical study of a prototypical floppy molecule from a molecular transport perspectivetBALDEA, Loan; KÖPPEL, Horst; WENZEL, Wolfgang et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 6, pp 1918-1928, issn 1463-9076, 11 p.Article

Quantum theory of activated events in presence of long-time memoryHANGGI, P; GRABERT, H; INGOLD, G.-L et al.Physical review letters. 1985, Vol 55, Num 7, pp 761-764, issn 0031-9007Article

Schrödinger equation approach to collision phenomena in reaction-diffusion systemsKOGA, S.Progress of theoretical physics. 1984, Vol 72, Num 6, pp 1104-1117, issn 0033-068XArticle

Relationship between more O'Ferrall plots and Marcus rate theory. Overriding orbital symmetry constraints on chemical reactionsMURDOCH, J. R.Journal of the American Chemical Society. 1983, Vol 105, Num 9, pp 2660-2667, issn 0002-7863Article

A simple one-dimensional model of the quantum theory of racemizationWEISSMAN, Y; HARRIS, R. A.Chemical physics. 1983, Vol 81, Num 1-2, pp 147-151, issn 0301-0104Article

Solvent states and spectroscopy of doped helium clusters as a quantum-chemistry-like problemAGUIRRE, Néstor F; VILLARREAL, Pablo; DELGADO-BARRIO, Gerardo et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 25, pp 10126-10140, issn 1463-9076, 15 p.Article

Direct computation of quantal rate constants: recursive development of the flux autocorrelation functionWYATT, R. E.Chemical physics letters. 1985, Vol 121, Num 4-5, pp 301-306, issn 0009-2614Article

Two-Hilbert space formulations of the quantum statistical mechanics of reactive fluids: dimer formation and decayEVANS, J. W.The Journal of chemical physics. 1986, Vol 85, Num 10, pp 5991-6003, issn 0021-9606Article

Topological aspects of chemical reactivity: reorganisation of electron density in allowed and forbidden reactionsPONEC, R.Collection of Czechoslovak chemical communications. 1985, Vol 50, Num 5, pp 1121-1132, issn 0010-0765Article

The self-consistent determination of ion-pair distribution functions within the Debye-Hückel frameworkCOOPER, I. L; HARRISON, J. A.Chemical physics letters. 1984, Vol 111, Num 4-5, pp 487-491, issn 0009-2614Article

De la mécanique ondulatoire à la naissance de la chimie quantique = From wave mechanics to quantum chemistryDAUDEL, R.Comptes rendus de l'Académie des sciences. Série II, Mécanique, physique, chimie, astronomie. 1996, Vol 322, Num 12, pp 895-898, issn 1251-8069Article

Etude théorique de la structure et de la réactivité des réactifs de Grignard = Theoretical study of the structure and reactivity of Grignard compoundsBoutahir, Driss; Rivail, Jean Louis.1992, 205 p.Thesis

Etude quanto-chimique du mécanisme de formation de l'ion pyridinium à la surface du silicate d'aluminium et en phase liquideZHANPEISOV, N. U; PEL'MENSHCHIKOV, A. G; PAUKSHTIS, E. A et al.Kinetika i kataliz. 1987, Vol 28, Num 1, pp 194-198, issn 0453-8811Article

A laser-like model of vibrational condensationTURCU, I.Physics letters. A. 1986, Vol 116, Num 9, pp 429-431, issn 0375-9601Article

Quantum transition state theory: transport of a heavy charged particleOVCHINNIKOV, A. A; DAKHNOVSKII, YU. I.Journal of electroanalytical chemistry and interfacial electrochemistry. 1986, Vol 204, Num 1-2, pp 85-95, issn 0022-0728Article

Transition state theory for quantum decay rates in dissipative systems: the high-temperature limitPOLLAK, E.Chemical physics letters. 1986, Vol 127, Num 2, pp 178-182, issn 0009-2614Article

Product quantum state distributions in unimolecular reactions involving highly flexible transition statesMARCUS, R. A.The Journal of chemical physics. 1986, Vol 85, Num 9, pp 5035-5040, issn 0021-9606Article

Ab initio SCF MO calculations on the reactions of hydroxyl radical with imidazole and monoprotonated imidazoleEATOCK, B. G; WALTZ, W. L; MEZEY, P. G et al.Journal of computational chemistry. 1985, Vol 6, Num 1, pp 68-75, issn 0192-8651Article

Relaxation of solvent in nucleophile-electrophile combination reactionsANGUIANO, J; BERTRAN, J.Perkin transactions. 2. 1985, Num 10, pp 1649-1651, issn 0300-9580Article

Quantum chemical modelling of the reactions participating in hydrocarbon combustion. Production of the H atomsURBAN, J; KLIMO, V; TINO, J et al.Collection of Czechoslovak chemical communications. 1984, Vol 49, Num 6, pp 1432-1439, issn 0010-0765Article

La migration des molécules de solvant dans les réactions de substitution nucléophile = Migration of solvent molecules in nucleophile substitution reactionsREVETLLAT, J. A; LLUCH, J. M; OLIVA, A et al.Comptes-rendus des séances de l'Académie des sciences. Série 2, Mécanique-physique, chimie, sciences de l'univers, sciences de la terre. 1984, Vol 299, Num 13, pp 853-856, issn 0750-7623Article