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Results 1 to 25 of 1885

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On the functional representation of bond energy functionsDINUR, U; HAGLER, A. T.Journal of computational chemistry. 1994, Vol 15, Num 9, pp 919-924, issn 0192-8651Article

Dissociation energies in polyatomic molecules and metal clustersFORTE, G; LOMBARDO, G. M; ANGILELLA, G. G. N et al.Recent research developments in molecular physics (Vol. 2 (2004)). Recent research developments in molecular physics. 2004, pp 1-8, isbn 81-7895-138-X, 8 p.Book Chapter

The vibrational numbering of bands in the spectra of polyatomic moleculesBRAND, J. C. D; CALLOMON, J. H; RAMSAY, D. A et al.Journal of photochemistry. 1983, Vol 22, Num 4, pp 295-296, issn 0047-2670Article

Vibrational numbering of bands in the spectra of polyatomic moleculesBRAND, J. C. D; CALLOMON, J. H; RAMSAY, D. A et al.Journal of physical chemistry (1952). 1983, Vol 87, Num 14, issn 0022-3654, 2636Article

Towards efficient ab initio calculations of electron scattering by polyatomic molecules: I. Efficient numerical quadrature of the UGT termCARSKY, Petr.Journal of physics. B. Atomic, molecular and optical physics (Print). 2010, Vol 43, Num 17, issn 0953-4075, 175203.1-175203.6Article

Femtosecond polarisation spectroscopy of the vector correlations in the photodissociation of polyatomic moleculesGELIN, Maxim F; BLOKHIN, Alexander P.Proceedings of SPIE, the International Society for Optical Engineering. 2007, pp 67271S.1-67271S.10, issn 0277-786X, isbn 978-0-8194-6884-0, 1VolConference Paper

Experimental detection of tetranitrogenCACACE, F; DE PETRIS, G; TROIANI, A et al.Science (Washington, D.C.). 2001, Vol 295, Num 5554, pp 480-481, issn 0036-8075Article

Relaxation of electron charge distributions and force constants in polyatomic moleculesGRIBOV, L. A; MASLOV, I. V; NIUKKANEN, A. W et al.Journal of molecular structure. Theochem. 1994, Vol 304, Num 1, pp 85-92, issn 0166-1280Article

Molecular-frame photoelectron angular distributionsLUCCHESE, Robert R; STOLOW, Albert.Journal of physics. B. Atomic, molecular and optical physics (Print). 2012, Vol 45, Num 19, issn 0953-4075, [135 p.]Serial Issue

POLYRATE 6.5: a new version of a computer program for the calculation of chemical reaction rates for polyatomicsSTECKLER, R; WEI-PING HU; HANCOCK, G. C et al.Computer physics communications. 1995, Vol 88, Num 2-3, pp 341-343, issn 0010-4655Article

Analytic second derivatives of the gradient-corrected density functional energy. Effect of quadrature weight derivativesJOHNSON, B. G; FRISCH, M. J.Chemical physics letters. 1993, Vol 216, Num 1-2, pp 133-140, issn 0009-2614Article

model of n coupled generalized deformed oscillators for vibrations of polyatomic moleculesBONATSOS, D; DASKALOYANNIS, C.Physical review. A. 1993, Vol 48, Num 5A, pp 3611-3616, issn 1050-2947Article

Time-dependent wavepacket calculations on polyatomic reactive scatteringKALYANARAMAN, C; CLARY, D. C.Computer physics communications. 1998, Vol 108, Num 2-3, pp 191-199, issn 0010-4655Article

Determination of momentum expectation values for polyatomic moleculesGARCIA DE LA VEGA, J. M; MIGUEL, B.Computer physics communications. 1998, Vol 109, Num 1, pp 34-46, issn 0010-4655Article

Near threshold photoionization of silicon clusters in the 248-146 nm region : ionization potentials for SinFUKE, K; TSUKAMOTO, K; MISAIZU, F et al.The Journal of chemical physics. 1993, Vol 99, Num 10, pp 7807-7812, issn 0021-9606Article

A simple derivation of Hückel's molecular orbitals in the framework of quantum logicMACZYNSKI, M. J.Reports on mathematical physics. 1991, Vol 30, Num 1, pp 81-88, issn 0034-4877Article

Between the local-mode and normal-mode limitsSCOTT, A. C; LOMDAHL, P. S; EILBECK, J. C et al.Chemical physics letters. 1985, Vol 113, Num 1, pp 29-36, issn 0009-2614Article

Relation entre les coordonnées vibratoires linéaires des différents états électroniques d'une moléculeTSAUNE, A. YA; GOLOVCHENKO, E. I.Optika i spektroskopiâ. 1984, Vol 56, Num 5, pp 794-799, issn 0030-4034Article

Quantum theory of polyatomic photodissociationKRESIN, V. Z; LESTER, W. A. JR.Advances in photochemistry. 1986, Vol 13, pp 95-163, issn 0065-3152Article

Calculation of semiclassical eigenvalues with one arbitrary trajectoryMILLER, W. H.The Journal of chemical physics. 1984, Vol 81, Num 8, pp 3573-3575, issn 0021-9606Article

Formules des intensités des bandes 2νa+νb et 2νa-νb des spectres IR des molécules polyatomiquesGAVVA, S. P; SVERDLOV, L. M.Optika i spektroskopiâ. 1984, Vol 57, Num 4, pp 623-626, issn 0030-4034Article

Internal coordinate formulation for the vibration-rotation energies of polyatomic molecules. IV: A note on the separation conditionsQUADE, C. R.The Journal of chemical physics. 1985, Vol 82, Num 5, issn 0021-9606, 2509Article

Symmetry-specific densities of vibrational levels for polyatomic moleculesAMITABHA SINHA; KINSEY, J. L.The Journal of chemical physics. 1984, Vol 80, Num 5, pp 2029-2033, issn 0021-9606Article

Effets résonnants aux ordres supérieurs des spectres rovibrationnels des molécules linéairesALIEV, M. R; MIKHAJLOV, V. M.Optika i spektroskopiâ. 1985, Vol 59, Num 2, pp 296-300, issn 0030-4034Article

Temporal coherence effects in multiphoton excitation of collisonless moleculesSCHEK, I; JORTNER, J.The Journal of chemical physics. 1984, Vol 81, Num 11, pp 4858-4866, issn 0021-9606Article

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