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A full nine-dimensional potential-energy surface for hydrogen molecule-water collisions
Title A full nine-dimensional potential-energy surface for hydrogen molecule-water collisions Author Faure Alexandre Co-authors Valiron Pierre Wernli Michael Wiesenfeld Laurent Rist Claire Noga Jozef 1955 SAVANOCH - Ústav anorganickej chémie SAV Tennyson J. Source document Journal of Chemical Physics. Vol. 122, no. 22 (2005), p. 221102-1-221102-4 Language eng - English Document kind rozpis článkov z periodík (rbx) Citations BARNES, B.C. - GELB, L.D. Meta-optimization of evolutionary strategies for empirical potential development: Application to aqueous silicate systems. In JOURNAL OF CHEMICAL THEORY AND COMPUTATION. ISSN 1549-9618, SEP-OCT 2007, vol. 3, no. 5, p. 1749-1764. FRANKCOMBE, T.J. - KROES, G.J. Molecular dynamics simulations of Type-sII hydrogen clathrate hydrate close to equilibrium conditions. In JOURNAL OF PHYSICAL CHEMISTRY C. ISSN 1932-7447, SEP 6 2007, vol. 111, no. 35, p. 13044-13052. HUBNER, O. - KLOPPER, W. Interaction of dihydrogen with small and light molecules. In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, MAR 29 2007, vol. 111, no. 12, p. 2426-2433. MELNICK, G.J. - TOLLS, V. - NEUFELD, D.A. - YUAN, Y. - SONNENTRUCKER, P. - WATSON, D.M. - BERGIN, E.A. - KAUFMAN, M.J. Detection of extended hot water in the outflow from NGC 2071. In ASTROPHYSICAL JOURNAL. ISSN 0004-637X, AUG 20 2008, vol. 683, no. 2, p. 876-892. AGUILERA-IPARRAGUIRRE, J. - BOESE, A.D. - KLOPPER, W. - RUSCIC, B. Accurate ab initio computation of thermochemical data for C3Hx (x=0,...,4) species. In CHEMICAL PHYSICS. ISSN 0301-0104, MAY 4 2008, vol. 346, no. 1-3, p. 56-68. MLADENOVIC, M. - LEWERENZ, M. - CILPA, G. - ROSMUS, P. - CHAMBAUD, G. Exploration of the NH3-H-2 van der Waals interaction by high level ab initio calculations. In CHEMICAL PHYSICS. ISSN 0301-0104, MAY 4 2008, vol. 346, no. 1-3, p. 237-246. 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. NAJAR, F. - BEN ABDALLAH, D. - JAIDANE, N. - BEN LAKHDAR, Z. - CHAMBAUD, G. - HOCHLAF, M. Rotational excitation and de-excitation of C-2(X (1)Sigma(+)(g)) by para-H-2(j=0). In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, MAY 28 2009, vol. 130, no. 20. DUBERNET, M.L. - DANIEL, F. - GROSJEAN, A. - LIN, C.Y. Rotational excitation of ortho-H2O by para-H-2 (j(2)=0, 2, 4, 6, 8) at high temperature. In ASTRONOMY & ASTROPHYSICS. ISSN 0004-6361, APR 2009, vol. 497, no. 3, p. 911-925. DANIEL, F. - DUBERNET, M.L. - PACAUD, F. - GROSJEAN, A. Rotational excitation of 20 levels of para-H(2)O by ortho-H(2) (j(2)=1, 3, 5, 7) at high temperature. In ASTRONOMY & ASTROPHYSICS. ISSN 0004-6361, JUL 2010, vol. 517. HAMMAMI, K. - JAIDANE, N. - FEAUTRIER, N. - SPIELFIEDEL, A. - LIQUE, F. Tensor cross sections and collisional depolarization of MgH by He atoms. In CHEMICAL PHYSICS LETTERS. ISSN 0009-2614, JAN 7 2010, vol. 484, no. 4-6, p. 148-153. WANG, Xuefeng - ANDREWS, Lester - MA, Dongxia - GAGLIARDI, Laura - GONCALVES, Antonio P. - PEREIRA, Claudia C. L. - MARCALO, Joaquim - GODART, Claude - VILLEROY, Benjamin. Infrared spectra and quantum chemical calculations of the uranium-carbon molecules UC, CUC, UCH, and U(CC)(2). In JOURNAL OF CHEMICAL PHYSICS, 2011, vol. 134, no. 24. TEW, David P. - HAETTIG, Christof - BACHORZ, Rafal A. - KLOPPER, Wim - CARSKY, P - PALDUS, J - PITTNER, J. EXPLICITLY CORRELATED COUPLED-CLUSTER THEORY. In RECENT PROGRESS IN COUPLED CLUSTER METHODS: THEORY AND APPLICATIONS, 2010, vol. 11, no., 535. VAN DER AVOIRD, Ad - NESBITT, David J. Rovibrational states of the H2O-H-2 complex: An ab initio calculation. In JOURNAL OF CHEMICAL PHYSICS, 2011, vol. 134, no. 4. SPIEGELMAN, F. - RAPACIOLI, M. - SIMON, A. - PINO, T - DARTOIS, E. Perspectives from Quantum Chemistry for molecules and nanograins with astrophysical Interest. In CHEMISTRY IN ASTROPHYSICAL MEDIA, ASTROHP 2010, 2011, vol. 18, no. DANIEL, F. - DUBERNET, M-L - GROSJEAN, A. Rotational excitation of 45 levels of ortho/para-H2O by excited ortho/para-H-2 from 5 K to 1500 K: state-to-state, effective, and thermalized rate coefficients. In ASTRONOMY & ASTROPHYSICS, 2011, vol. 536, no. WANG, Xiao-Gang - CARRINGTON, Tucker. Theoretical study of the rovibrational spectrum of H2O-H-2. In JOURNAL OF CHEMICAL PHYSICS, 2011, vol. 134, no. 4. KLOS, J. - LIQUE, F. First rate coefficients for an interstellar anion: Application to the CN-H 2 collisional system. In Monthly Notices of the Royal Astronomical Society, 2011, vol. 418, no. 1, p. 271-275. DUMOUCHEL, F. - KŁOS, J. - LIQUE, F. The rotational excitation of the interstellar HNC by para- and ortho-H 2. In Physical Chemistry Chemical Physics, 2011, vol. 13, no. 18, p. 8204-8212. HAETTIG, Christof - KLOPPER, Wim - KOEHN, Andreas - TEW, David P. Explicitly Correlated Electrons in Molecules. In CHEMICAL REVIEWS. ISSN 0009-2665, 2012, vol. 112, no. 1, pp. 4. DUMOUCHEL, F. - SPIELFIEDEL, A. - SENENT, M. L. - FEAUTRIER, N. Temperature dependence of rotational excitation rate coefficients of C2H- in collision with He. In CHEMICAL PHYSICS LETTERS. ISSN 0009-2614, 2012, vol. 533, no., pp. 6. BARRETO, P.R.P. - CAPOBIANCO, A. - ALBERNAZ, A.F. A SAPT study of the H 2O⋯X 2 complexes; X = H, N and F. In Proceedings 12th International Conference on Computational Science and Its Applications, ICCSA 2012, 2012, pp. 67-76. 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. 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. AJILI, Y. - HAMMAMI, K. Induced rotational excitation of the fluoromethylidynium (CF+)-C-12 and (CF+)-C-13 through collision with helium. In ASTRONOMY & ASTROPHYSICS. ISSN 0004-6361, 2013, vol. 556, no., pp. MA, Qianli - KLOS, Jacek - ALEXANDER, Millard H. - VAN DER AVOIRD, Ad - DAGDIGIAN, Paul J. The interaction of OH(X-2 Pi) with H-2: Ab initio potential energy surfaces and bound states. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2014, vol. 141, no. 17, pp. WALKER, Kyle M. - YANG, B. H. - STANCIL, P. C. - BALAKRISHNAN, N. - FORREY, R. C. ON THE VALIDITY OF COLLIDER-MASS SCALING FOR MOLECULAR ROTATIONAL EXCITATION. In ASTROPHYSICAL JOURNAL. ISSN 0004-637X, 2014, vol. 790, no. 2, pp. YANG, B. - WALKER, K. M. - FORREY, R. C. - STANCIL, P. C. - BALAKRISHNAN, N. Collisional quenching of highly rotationally excited HF. In ASTRONOMY & ASTROPHYSICS. ISSN 0004-6361, 2015, vol. 578, no., pp. HOMAYOON, Zahra - CONTE, Riccardo - QU, Chen - BOWMAN, Joel M. Full-dimensional, high-level ab initio potential energy surfaces for H-2(H2O) and H-2(H2O)(2) with application to hydrogen clathrate hydrates. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2015, vol. 143, no. 8, pp. AJILI, Y. - BEN ABDALLAH, D. - AL-MOGREN, M. Mogren - LIQUE, F. - FRANCISCO, J. S. - HOCHLAF, M. Explicitly correlated three-dimensional potential-energy surface of the thiazyl-hydride-helium weakly bound system and implications for HSN detection. In PHYSICAL REVIEW A. ISSN 2469-9926, 2016, vol. 94, no. 1, pp. SAMANTA, Amit K. - WANG, Yimin - MANCINI, John S. - BOWMAN, Joel M. - REISLER, Hanna. Energetics and Predissociation Dynamics of Small Water, HCl, and Mixed HCl-Water Clusters. In CHEMICAL REVIEWS. ISSN 0009-2665, 2016, vol. 116, no. 9, pp. 4913-4936. BORYSOW, Jacek - MORALDI, Massimo - NEUMANN, Martin. Calculation of the Raman Q branch of hydrogen in water and comparison with experiments. In JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS. ISSN 0953-4075, 2018, vol. 51, no. 23, pp. SAHNOUN, E. - NKEM, C. - NAINDOUBA, A. - HAMMAMI, K. - JAIDANE, N. - OWONO, L. C. Owono. Quantum scattering of KCl with He/para-: potential energy surface and rate coefficients at low temperature. In ASTROPHYSICS AND SPACE SCIENCE. ISSN 0004-640X, 2018, vol. 363, no. 9, pp. DAGDIGIAN, Paul J. Excitation of Astrophysical Molecules. In GAS-PHASE CHEMISTRY IN SPACE: FROM ELEMENTARY PARTICLES TO COMPLEX ORGANIC MOLECULES. ISSN 2515-141X, 2019, vol., no., pp. Dostupné na: https://doi.org/10.1088/2514-3433/aae1b5ch7. BOURSIER, C. - MANDAL, B. - BABIKOV, D. - DUBERNET, M. L. New H2O-H2O collisional rate coefficients for cometary applications. In MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY. ISSN 0035-8711, 2020, vol. 498, no. 4, pp. 5489-5497. Dostupné na: https://doi.org/10.1093/mnras/staa2713. BADRI, Ayda - NAJAR, Faouzi - BOP, Cheikh T. - JAIDANE, Nejm-Eddine - HOCHLAF, Majdi. State-to-state inelastic rate coefficients of phosphine in collision with He at low to moderate temperature. In MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY. ISSN 0035-8711, 2020, vol. 499, no. 2, pp. 1578-1586. Dostupné na: https://doi.org/10.1093/mnras/staa2611. KHADRI, F. - CHEFAI, A. - HAMMAMI, K. Low-temperature rate constants and radiative transfer for rotational de-excitation of C5S by collision with He. In MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY. ISSN 0035-8711, 2020, vol. 498, no. 4, pp. 5159-5165. Dostupné na: https://doi.org/10.1093/mnras/staa2746. BA, Yaye-Awa - DUBERNET, Marie-Lise - MOREAU, Nicolas - ZWOLF, Carlo Maria. BASECOL2020 New Technical Design. In ATOMS, 2020, vol. 8, no. 4, pp. Dostupné na: https://doi.org/10.3390/atoms8040069. TOUMI, I. - YAZIDI, O. - NAJAR, F. Rotational excitation of Csub2/subHSUP-/SUP anion in collision with Hsub2/sub. In RSC ADVANCES. APR 20 2021, vol. 11, no. 22, p. 13579-13584. STOECKLIN, T. - CABRERA-GONZáLEZ, L.D. - DENIS-ALPIZAR, O. - PáEZ-HERNáNDEZ, D. A close coupling study of the bending relaxation of Hsub2/subO by collision with He. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, APR 14 2021, vol. 154, no. 14. ZóLTOWSKI, M. - LIQUE, F. - KARSKA, A. - ZUCHOWSKI, P.S. Rotational excitation of highly excited Hsub2/subO by Hsub2/sub. In MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY. ISSN 0035-8711, APR 2021, vol. 502, no. 4, p. 5356-5361. LI, J. - LIU, Y. - GUO, H. - LI, J. An accurate full-dimensional Hsub4/subO potential energy surface and dynamics of an exchange reaction. In PHYSICAL CHEMISTRY CHEMICAL PHYSICS. ISSN 1463-9076, NOV 18 2022, vol. 24, no. 44. 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 2005 Registered in WOS Registered in SCOPUS Registered in CCC DOI 10.1063/1.1935515 
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rok CC IF IF Q (best) JCR Av Jour IF Perc SJR SJR Q (best) CiteScore A rok vydania rok metriky IF IF Q (best) SJR SJR Q (best) 2005 2004 3.105
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