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345 related items for PubMed ID: 16035755

  • 1. A new ab initio potential-energy surface of HO2(X2A") and quantum studies of HO2 vibrational spectrum and rate constants for the H + O2 <--> O + OH reactions.
    Xu C, Xie D, Zhang DH, Lin SY, Guo H.
    J Chem Phys; 2005 Jun 22; 122(24):244305. PubMed ID: 16035755
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  • 3. A new ab initio potential-energy surface for NH2(X 2A") and quantum studies of NH2 vibrational spectrum and rate constant for the N(2D)+H2-->NH+H reaction.
    Zhou S, Xie D, Lin SY, Guo H.
    J Chem Phys; 2008 Jun 14; 128(22):224316. PubMed ID: 18554022
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  • 4. An ab initio global potential-energy surface for NH2(A(2)A') and vibrational spectrum of the Renner-Teller A(2)A'-X(2)A" system.
    Zhou S, Li Z, Xie D, Lin SY, Guo H.
    J Chem Phys; 2009 May 14; 130(18):184307. PubMed ID: 19449921
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  • 5. A reliable ab initio potential energy surface and vibrational states for the ground electronic state of HgH2(X1Sigma+g).
    Li H, Xie D, Guo H.
    J Chem Phys; 2005 Apr 08; 122(14):144314. PubMed ID: 15847529
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  • 8. Global ab initio potential energy surfaces for both the ground (X̃1A') and excited (Ã1A'') electronic states of HNO and vibrational states of the Renner-Teller Ã1A''-X̃1A' system.
    Li A, Han H, Xie D.
    J Chem Phys; 2011 Sep 14; 135(10):104304. PubMed ID: 21932890
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  • 9. Ab initio potential energy surfaces for the ground (X1A') and excited (A1A'') electronic states of HGeBr and the Absorption and emission spectra of HGeBr/DGeBr.
    Lin S, Xie D, Guo H.
    J Phys Chem A; 2009 Jul 02; 113(26):7314-21. PubMed ID: 19290597
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  • 10. Ab initio potential energy surfaces for both the ground (X (1)A') and excited (A (1)A") electronic states of HGeCl and the absorption and emission spectra of HGeCl/DGeCl.
    Lin S, Xie D, Guo H.
    J Chem Phys; 2008 Oct 21; 129(15):154313. PubMed ID: 19045199
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  • 15. New ab initio potential energy surfaces for both the ground (X̃1A') and excited (Ã1A″) electronic states of HSiCl and the absorption and emission spectra of HSiCl/DSiCl.
    Lin S, Xie D.
    J Comput Chem; 2011 Jun 21; 32(8):1694-702. PubMed ID: 21370239
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  • 16. Ab initio potential energy surfaces and nonadiabatic collision dynamics in H(+)+O(2) system.
    Amaran S, Kumar S.
    J Chem Phys; 2008 Apr 21; 128(15):154325. PubMed ID: 18433227
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  • 18. Ab Initio Study of the Electronic Spectrum of the SiO(+) Cation.
    Cai Z, François JP.
    J Mol Spectrosc; 1999 Sep 21; 197(1):12-18. PubMed ID: 10438636
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  • 19. Rate constant for OH(2 Pi)+O(3P)-->H(2S)+O2(3 Sigma g-) reaction on an improved ab initio potential energy surface and implications for the interstellar oxygen problem.
    Xu C, Xie D, Honvault P, Lin SY, Guo H.
    J Chem Phys; 2007 Jul 14; 127(2):024304. PubMed ID: 17640125
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