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458 related items for PubMed ID: 16633643
1. Photo-induced desorption of NO from NiO(100): calculation of the four-dimensional potential energy surfaces and systematic wave packet studies. Mehdaoui I, Kröner D, Pykavy M, Freund HJ, Klüner T. Phys Chem Chem Phys; 2006 Apr 07; 8(13):1584-92. PubMed ID: 16633643 [Abstract] [Full Text] [Related]
3. Two-dimensional surrogate Hamiltonian investigation of laser-induced desorption of NO/NiO(100). Dittrich S, Freund HJ, Koch CP, Kosloff R, Klüner T. J Chem Phys; 2006 Jan 14; 124(2):024702. PubMed ID: 16422621 [Abstract] [Full Text] [Related]
4. Quantum real wave-packet dynamics of the N(4S)+NO(X2Pi)-->N2(X1Sigma(g)+)+O(3P) reaction on the ground and first excited triplet potential energy surfaces: rate constants, cross sections, and product distributions. Gamallo P, Sayós R, González M, Petrongolo C, Defazio P. J Chem Phys; 2006 May 07; 124(17):174303. PubMed ID: 16689567 [Abstract] [Full Text] [Related]
7. A time-dependent wave-packet quantum scattering study of the reaction H2+(v = 0-2,4,6;j = 1) + He--> HeH+ + H. Chu TS, Lu RF, Han KL, Tang XN, Xu HF, Ng CY. J Chem Phys; 2005 Jun 22; 122(24):244322. PubMed ID: 16035772 [Abstract] [Full Text] [Related]
8. Time-dependent quantum wave-packet description of H and D atom tunneling in N-H and N-D photodissociation of methylamine and methylamine-d2. Levi C, Kosloff R, Zeiri Y, Bar I. J Chem Phys; 2009 Aug 14; 131(6):064302. PubMed ID: 19691383 [Abstract] [Full Text] [Related]
10. Theoretical study of the electronic nonadiabatic transitions in the photoelectron spectroscopy of F2O. Krishnan GM, Ghosal S, Mahapatra S. J Phys Chem A; 2006 Jan 26; 110(3):1022-30. PubMed ID: 16420003 [Abstract] [Full Text] [Related]
11. A quantum wave-packet study of intersystem crossing effects in the O(3P2,1,0,1D2)+H2 reaction. Chu TS, Zhang X, Han KL. J Chem Phys; 2005 Jun 01; 122(21):214301. PubMed ID: 15974732 [Abstract] [Full Text] [Related]
12. 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 [Abstract] [Full Text] [Related]
15. A quantum wave packet dynamical study of the electronic and spin-orbit coupling effects on the resonances in Cl(2P) + H2 scattering. Ghosal S, Mahapatra S. J Phys Chem A; 2005 Mar 03; 109(8):1530-40. PubMed ID: 16833474 [Abstract] [Full Text] [Related]
16. Quantum wave packet dynamics of N(2D)+H2 reaction. Jayachander Rao B, Mahapatra S. J Chem Phys; 2007 Dec 28; 127(24):244307. PubMed ID: 18163675 [Abstract] [Full Text] [Related]
17. Theoretical study of excitations in furan: spectra and molecular dynamics. Gromov EV, Trofimov AB, Vitkovskaya NM, Köppel H, Schirmer J, Meyer HD, Cederbaum LS. J Chem Phys; 2004 Sep 08; 121(10):4585-98. PubMed ID: 15332889 [Abstract] [Full Text] [Related]
18. Quantum wave packet study of the H+ + D2 reaction on diabatic potential energy surfaces. Lu RF, Chu TS, Han KL. J Phys Chem A; 2005 Aug 04; 109(30):6683-8. PubMed ID: 16834020 [Abstract] [Full Text] [Related]