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Results 1 to 25 of 203

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A method to integrate an atom in a molecule without explicit representation of the interatomic surfacePOPELIER, P. L. A.Computer physics communications. 1998, Vol 108, Num 2-3, pp 180-190, issn 0010-4655Article

Thermal conductivity of atom-molecule dilute gas mixturesSCHREIBER, M; VESOVIC, V; WAKEHAM, W. A et al.High Temperatures. High Pressures (Print). 1997, Vol 29, Num 6, pp 653-658, issn 0018-1544Article

On the variation of the electric quadrupole moment with internuclear distance and the atom-diatom long-range electrostatic interaction energyRODRIGUES, S. P. J; VARANDAS, A. J. C.PCCP. Physical chemistry chemical physics (Print). 2000, Vol 2, Num 4, pp 435-439, issn 1463-9076Article

Investigation of atom-molecule interactions by the dielectric relaxation methodPOTAPOV, A. A.Russian journal of physical chemistry. 1992, Vol 66, Num 3, pp 353-356, issn 0036-0244Article

Extracting Cross Sections from Rate Coefficients: Application to Molecular Gas DissociationMINELLI, P; ESPOSITO, F; BRUNO, D et al.Journal of thermophysics and heat transfer. 2011, Vol 25, Num 3, pp 374-377, issn 0887-8722, 4 p.Article

Atomic representation of the dispersion interaction energySANZ-GARCIA, Aranzazu; WHEATLEY, Richard J.PCCP. Physical chemistry chemical physics (Print). 2003, Vol 5, Num 5, pp 801-807, issn 1463-9076, 7 p.Article

Adducts of xenon with organic molecules: Rotational spectrum of dimethyl ether-XeFAVERO, Laura B; VELINO, Biagio; MILLEMAGGI, Aldo et al.ChemPhysChem (Print). 2003, Vol 4, Num 8, pp 881-884, issn 1439-4235, 4 p.Article

Excitation laser fluence effects on the Ba...FCH3 + hv → BaF + CH3 intracluster reactionGONZALEZ URENA, A; GASMI, K; JIMENEZ, J et al.Chemical physics letters. 2002, Vol 352, Num 5-6, pp 369-374, issn 0009-2614Article

Wave packet dynamics on the repulsive potential surface of BaFCH3 excited at 745 nmSTERT, V; RITZE, H.-H; RADLOFF, W et al.Chemical physics letters. 2002, Vol 355, Num 5-6, pp 449-456, issn 0009-2614Article

The formation of heterogeneous van der Waals complexes in helium dropletsPÖRTNER, Nikolas; VILESOV, Andrej F; HAVENITH, Martina et al.Chemical physics letters. 2001, Vol 343, Num 3-4, pp 281-288, issn 0009-2614Article

Bound-bound Ar-NO A-X vibronic transitions. New mass-resolved 1+1 REMPI observationsMCQUAID, M. J; LEMIRE, G. W; SAUSA, R. C et al.Chemical physics letters. 1994, Vol 227, Num 1-2, pp 54-60, issn 0009-2614Article

Ground-state binding energy and vibrations of the carbazole.Ar van der Waals complex by pump/dump-R2PI measurementsBÜRGI, T; DROZ, T; LEUTWYLER, S et al.Chemical physics letters. 1994, Vol 225, Num 4-6, pp 351-358, issn 0009-2614Article

Vibrational frequency shifts in NeHF and ArHF complexesMCDOWELL, S. A. C; TREFRY, M. G; BUCKINGHAM, A. D et al.Molecular physics (Print). 1994, Vol 81, Num 5, pp 1225-1237, issn 0026-8976Article

Potential energy surfaces for the benzene-rare gas systemsPIRANI, F; PORRINI, M; CAVALLI, S et al.Chemical physics letters. 2003, Vol 367, Num 3-4, pp 405-413, issn 0009-2614, 9 p.Article

Intermolecular induction and exchange-induction energies from coupled-perturbed Kohn-Sham density functional theoryHESSELMANN, Andreas; JANSEN, Georg.Chemical physics letters. 2002, Vol 362, Num 3-4, pp 319-325, issn 0009-2614, 7 p.Article

Effective resolvent applied to interacting resonancesGADEA, F. X; DURAND, Ph; GONZALEZ-LEZANA, T et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 2001, Vol 15, Num 2, pp 215-219, issn 1434-6060Article

Extracting rates of vibrational energy relaxation from centroid molecular dynamicsPOULSEN, Jens; KEIDING, Søren R; ROSSKY, Peter J et al.Chemical physics letters. 2001, Vol 336, Num 5-6, pp 488-494, issn 0009-2614Article

Vibrational partition functions for atom-diatom and atom-triatom van der Waals systemsURBANO, Alice P. A; PRUDENTE, Frederico V; RIGANELLI, Antonio et al.PCCP. Physical chemistry chemical physics (Print). 2001, Vol 3, Num 22, pp 5000-5005, issn 1463-9076Article

Potential energy surfaces and properties of the Br-HBr complexMEUWLY, M; HUTSON, J. M.PCCP. Physical chemistry chemical physics (Print). 2000, Vol 2, Num 4, pp 441-446, issn 1463-9076Article

The effect of nonequilibrium dissociation on boundary layer flowNOSIK, V. I.Fluid dynamics. 1995, Vol 30, Num 4, pp 629-637, issn 0015-4628Article

Analytical potential energy for alkali dihalide molecules based on the diatomics-in-molecules formalism. Application to LiF2VARANDAS, A. J. C; VORONIN, A. I.Chemical physics letters. 1994, Vol 227, Num 1-2, pp 133-142, issn 0009-2614Article

Coupled-channel scattering calculations of rotational resonances of ArHO (2Σ+, v=O)BAIYU PAN; BOWMAN, J. M; GAZDY, B et al.Chemical physics letters. 1994, Vol 221, Num 1-2, pp 117-120, issn 0009-2614Article

One-atom cage effect in I2-Ar complexes : can it be explained by linear ground-state isomers ?DE MIRANDA, M. P; BESWICK, J. A; HALBERSTADT, N et al.Chemical physics. 1994, Vol 187, Num 1-2, pp 185-194, issn 0301-0104Article

Free energy perturbation calculations on multiple mutation basesYONEDA, S; UMEYAMA, H.The Journal of chemical physics. 1992, Vol 97, Num 9, pp 6730-6736, issn 0021-9606Article

Dipole moment functions of X2-Y and X2-Y2dimersBULDAKOV, Mikhail A; CHEREPANOV, Victor N; KALUGINA, Yuliya N et al.Proceedings of SPIE, the International Society for Optical Engineering. 2008, pp 693608.1-693608.6, issn 0277-786X, isbn 978-0-8194-7123-9Conference Paper

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