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R12-calibrated H2O-H2 interaction: Full dimensional and vibrationally averaged potential energy surfaces
Title R12-calibrated H2O-H2 interaction: Full dimensional and vibrationally averaged potential energy surfaces Author Valiron Pierre Co-authors Wernli Michael Faure Alexandre Wiesenfeld Laurent Rist Claire Kedžuch Stanislav 1979 SAVANOCH - Ústav anorganickej chémie SAV Noga Jozef 1955 SAVANOCH - Ústav anorganickej chémie SAV Source document Journal of Chemical Physics. Vol. 129, no. 13 (2008), p. 134306-1-134306-14 Language eng - English Country US - United States of America Document kind rozpis článkov z periodík (rbx) Citations BARRETO, P.R.P. - RIBAS, V.W. - PALAZZETTI, F. Potential Energy Surface for the H2O-H-2 System. In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, DEC 31 2009, vol. 113, no. 52, p. 15047-15054. BISCHOFF, F.A. - WOLFSEGGER, S. - TEW, D.P. - KLOPPER, W. Assessment of basis sets for F12 explicitly-correlated molecular electronic-structure methods. In MOLECULAR PHYSICS. ISSN 0026-8976, 2009, vol. 107, no. 8-12, Sp. Iss. SI, p. 963-975. 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BARRETO, P.R.B. - ALBERNAZ, A.F. - CAPOBIANCO, A. - PALAZZETTI, F. - LOMBARDI, A. - GROSSI, G. - AQUILANTI, V. Potential energy surfaces for interactions of H 2O with H 2, N 2 and O 2: A hyperspherical harmonics representation, and a minimal model for the H 2O-rare-gas-atom systems. In COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2012, vol. 990, p. 53-61. YANG, Benhui - NAGAO, M. - SATOMI, W. - KIMURA, M. - STANCIL, P. C. ROTATIONAL QUENCHING OF ROTATIONALLY EXCITED H2O IN COLLISIONS WITH He. In ASTROPHYSICAL JOURNAL. ISSN 0004-637X, 2013, vol. 765, no. 2, pp. VAN DISHOECK, Ewine F. - HERBST, Eric - NEUFELD, David A. Interstellar Water Chemistry: From Laboratory to Observations. In CHEMICAL REVIEWS. ISSN 0009-2665, 2013, vol. 113, no. 12, pp. 9043. MELLA, Massimo - CUROTTO, E. Quantum simulations of the hydrogen molecule on ammonia clusters. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2013, vol. 139, no. 12, pp. DAGDIGIAN, Paul J. Theoretical investigation of collisional energy transfer in polyatomic intermediates. In INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY. ISSN 0144-235X, 2013, vol. 32, no. 2, pp. 229. ROUEFF, Evelyne - LIQUE, Francois. Molecular Excitation in the Interstellar Medium: Recent Advances in Collisional, Radiative, and Chemical Processes. In CHEMICAL REVIEWS. ISSN 0009-2665, 2013, vol. 113, no. 12, pp. 8906. PIRANI, Fernando - CAPPELLETTI, David - BELPASSI, Leonardo - TARANTELLI, Francesco. Intermolecular Interaction in the NH3-H-2 and H2O-H-2 Complexes by Molecular Beam Scattering Experiments: The Role of Charge Transfer. In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, 2013, vol. 117, no. 47, pp. 12601. DENIS-ALPIZAR, Otoniel - STOECKLIN, Thierry - HALVICK, Philippe - DUBERNET, Marie-Lise. The interaction of He with vibrating HCN: Potential energy surface, bound states, and rotationally inelastic cross sections. In JOURNAL OF CHEMICAL PHYSICS. 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ISSN 1463-9076, 2014, vol. 16, no. 26, pp. 13500. BARTOCCI, Alessio - CAPPELLETTI, David - PIRANI, Fernando - TARANTELLI, Francesco - BELPASSI, Leonardo. Intermolecular Interaction in the H2S-H-2 Complex: Molecular Beam Scattering Experiments and Ab-Inito Calculations. In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, 2014, vol. 118, no. 33, pp. 6440. TKAC, Ondrej - MA, Qianli - RUSHER, Cassandra A. - GREAVES, Stuart J. - ORR-EWING, Andrew J. - DAGDIGIAN, Paul J. Differential and integral cross sections for the rotationally inelastic scattering of methyl radicals with H-2 and D-2. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2014, vol. 140, no. 20, pp. BERG, Matthias - ACCARDI, Antonio - PAULUS, Beate - SCHMIDT, Burkhard. Rotationally adiabatic pair interactions of para- and ortho-hydrogen with the halogen molecules F-2, Cl-2, and Br-2. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2014, vol. 141, no. 7, pp. RONCA, Enrico - BELPASSI, Leonardo - TARANTELLI, Francesco. 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Full quantum calculation of the rovibrational states and intensities for a symmetric top-linear molecule dimer: Hamiltonian, basis set, and matrix elements. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2019, vol. 151, no. 7, pp. Dostupné na: https://doi.org/10.1063/1.5115496. FELKER, Peter M. - LAUVERGNAT, David - SCRIBANO, Yohann - BENOIT, David M. - BACIC, Zlatko. Intramolecular stretching vibrational states and frequency shifts of (H2)2 confined inside the large cage of clathrate hydrate from an eight-dimensional quantum treatment using small basis sets. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2019, vol. 151, no. 12, pp. Dostupné na: https://doi.org/10.1063/1.5124051. NDENGUE, Steve - SCRIBANO, Yohann - GATTI, Fabien - DAWES, Richard. State-to-state inelastic rotational cross sections in five-atom systems with the multiconfiguration time dependent Hartree method. In JOURNAL OF CHEMICAL PHYSICS. 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Category ADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted) Category of document (from 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Type of document článok Year 2008 Registered in WOS Registered in SCOPUS Registered in CCC DOI 10.1063/1.2988314 
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