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Journal Abstract Search

306 related items for PubMed ID: 20001043

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  • 2. Ab initio calculation of the NH(3sigma-)-NH(3sigma-) interaction potentials in the quintet, triplet, and singlet states.
    Dhont GS, van Lenthe JH, Groenenboom GC, van der Avoird A.
    J Chem Phys; 2005 Nov 08; 123(18):184302. PubMed ID: 16292903
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  • 5. Ab initio treatment of the chemical reaction precursor complex Cl(2P)-HF. 1. Three-dimensional diabatic potential energy surfaces.
    Fishchuk AV, Wormer PE, van der Avoird A.
    J Phys Chem A; 2006 Apr 27; 110(16):5273-9. PubMed ID: 16623452
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  • 6. Potential energy surface and MULTIMODE vibrational analysis of C2H3+.
    Sharma AR, Wu J, Braams BJ, Carter S, Schneider R, Shepler B, Bowman JM.
    J Chem Phys; 2006 Dec 14; 125(22):224306. PubMed ID: 17176140
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  • 8. Potential-energy surface for the electronic ground state of NH3 up to 20,000 cm-1 above equilibrium.
    Yurchenko SN, Zheng J, Lin H, Jensen P, Thiel W.
    J Chem Phys; 2005 Oct 01; 123(13):134308. PubMed ID: 16223289
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  • 10. Full-dimensional, ab initio potential energy and dipole moment surfaces for water.
    Wang Y, Shepler BC, Braams BJ, Bowman JM.
    J Chem Phys; 2009 Aug 07; 131(5):054511. PubMed ID: 19673578
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  • 11. Three-dimensional potential energy surface of the Ar-OH(2Pi i) complex.
    Sumiyoshi Y, Funahara I, Sato K, Ohshima Y, Endo Y.
    J Chem Phys; 2006 Sep 28; 125(12):124307. PubMed ID: 17014174
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  • 14. Ab initio potential energy surfaces, bound states, and electronic spectrum of the Ar-SH complex.
    Doyle RJ, Hirst DM, Hutson JM.
    J Chem Phys; 2006 Nov 14; 125(18):184312. PubMed ID: 17115757
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  • 17. Role of OH-stretch/torsion coupling and quantum yield effects in the first OH overtone spectrum of cis-cis HOONO.
    McCoy AB, Fry JL, Francisco JS, Mollner AK, Okumura M.
    J Chem Phys; 2005 Mar 08; 122(10):104311. PubMed ID: 15836319
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  • 19. Ab initio calculations on SF2 and its low-lying cationic states: anharmonic Franck-Condon simulation of the UV photoelectron spectrum of SF2.
    Lee EP, Mok DK, Chau FT, Dyke JM.
    J Chem Phys; 2006 Sep 14; 125(10):104304. PubMed ID: 16999523
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