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On the role of high excitations in the intermolecular potential of H2-CO

  1. TitleOn the role of high excitations in the intermolecular potential of H2-CO
    Author Noga Jozef 1955 SAVANOCH - Ústav anorganickej chémie SAV
    Co-authors Kállay M.

    Valiron Pierre

    Source document Molecular Physics. Vol. 104, no. 13-14 (2006), p. 2337-2345
    Languageeng - English
    CountryGB - Great Britian
    Document kindrozpis článkov z periodík (rbx)
    CitationsJANKOWSKI, P. - SZALEWICZ, K. Effects of monomer flexibility on spectra of N-2-HF. In CHEMICAL PHYSICS LETTERS. ISSN 0009-2614, JUN 27 2008, vol. 459, no. 1-6, p. 60-64.
    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.
    JANKOWSKI, P. Exploring the new three-dimensional ab initio interaction energy surface of the Ar-HF complex: Rovibrational calculations for Ar-HF and Ar-DF with vibrationally excited diatoms. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, APR 21 2008, vol. 128, no. 15.
    PIRIM, C. - KRIM, L. - LAFFON, C. - PARENT, P. - PAUZAT, F. - PILME, J. - ELLINGER, Y. Preliminary Study of the Influence of Environment Conditions on the Successive Hydrogenations of CO. In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, MAR 11 2010, vol. 114, no. 9, p. 3320-3328.
    PIRIM, Claire - KRIM, Lahouari. An FTIR study on the catalytic effect of water molecules on the reaction of CO successive hydrogenation at 3 K. In CHEMICAL PHYSICS, 2011, vol. 380, no. 1-3, 67.
    JANKOWSKI, Piotr - SURIN, L. A. - POTAPOV, A. - SCHLEMMER, S. - MCKELLAR, A. R. W. - SZALEWICZ, Krzysztof. A comprehensive experimental and theoretical study of H-2-CO spectra. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2013, vol. 138, no. 8, pp.
    LI, Hui - ZHANG, Xiao-Long - LE ROY, Robert J. - ROY, Pierre-Nicholas. Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO-H-2 dimer and frequency shifts of CO in (para-H-2)(N) N=1-20 clusters. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2013, vol. 139, no. 16, pp.
    SMITH, Daniel G. A. - JANKOWSKI, Piotr - SLAWIK, Michal - WITEK, Henryk A. - PATKOWSKI, Konrad. Basis Set Convergence of the Post-CCSD(T) Contribution to Noncovalent Interaction Energies. In JOURNAL OF CHEMICAL THEORY AND COMPUTATION. ISSN 1549-9618, 2014, vol. 10, no. 8, pp. 3140.
    SURIN, L. A. - TARABUKIN, I. V. - PANFILOV, V. A. - SCHLEMMER, S. - KALUGINA, Y. N. - FAURE, A. - RIST, C. - VAN DER AVOIRD, A. Rotational study of the CH4-CO complex: Millimeter-wave measurements and ab initio calculations. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2015, vol. 143, no. 15, pp.
    HOU, Dan - ZHANG, Xiao-Long - ZHAI, Yu - LI, Hui. The Role of High Excitations in Constructing Sub-spectroscopic Accuracy Intermolecular Potential of He-HCN: Critically Examined by the High-Resolution Spectra with Resonance States. In CHINESE JOURNAL OF CHEMICAL PHYSICS. ISSN 1674-0068, 2017, vol. 30, no. 6, pp. 776-788.
    GARBEROGLIO, Giovanni - JANKOWSKI, Piotr - SZALEWICZ, Krzysztof - HARVEY, Allan H. All-dimensional H-2-CO potential: Validation with fully quantum second virial coefficients. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2017, vol. 146, no. 5, pp.
    KODRYCKA, Monika - PATKOWSKI, Konrad. Platinum, gold, and silver standards of intermolecular interaction energy calculations. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2019, vol. 151, no. 7, pp. Dostupné na: https://doi.org/10.1063/1.5116151.
    CategoryADCA - 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 documentčlánok
    Year2006
    Registered inWOS
    Registered inSCOPUS
    Registered inCCC
    DOI 10.1080/00268970600659537
    article

    article

    rokCCIFIF Q (best)JCR Av Jour IF PercSJRSJR Q (best)CiteScore
    A
    rok vydaniarok metrikyIFIF Q (best)SJRSJR Q (best)
    200620051.351Q30.891Q2
Number of the records: 1  

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