235 related articles for article (PubMed ID: 15248978)
21. Ultrafast infrared spectroscopy of riboflavin: dynamics, electronic structure, and vibrational mode analysis.
Wolf MM; Schumann C; Gross R; Domratcheva T; Diller R
J Phys Chem B; 2008 Oct; 112(42):13424-32. PubMed ID: 18821792
[TBL] [Abstract][Full Text] [Related]
22. Quantum mechanical calculation of energy dependence of OCl/OH product branching ratio and product quantum state distributions for the O(1D) + HCl reaction on all three contributing electronic state potential energy surfaces.
Yang H; Han KL; Nanbu S; Nakamura H; Balint-Kurti GG; Zhang H; Smith SC; Hankel M
J Phys Chem A; 2008 Aug; 112(34):7947-60. PubMed ID: 18683915
[TBL] [Abstract][Full Text] [Related]
23. Conical intersections involving the dissociative 1pisigma* state in 9H-adenine: a quantum chemical ab initio study.
Credo Chung W; Lan Z; Ohtsuki Y; Shimakura N; Domcke W; Fujimura Y
Phys Chem Chem Phys; 2007 May; 9(17):2075-84. PubMed ID: 17464388
[TBL] [Abstract][Full Text] [Related]
24. Structure and energetics of Fe2(CO)8 singlet and triplet electronic states.
Bertini L; Bruschi M; De Gioia L; Fantucci P
J Phys Chem A; 2007 Dec; 111(48):12152-62. PubMed ID: 17988105
[TBL] [Abstract][Full Text] [Related]
25. Quantum chemical investigation of the electronic spectra of the keto, enol, and keto-imine tautomers of cytosine.
Tomić K; Tatchen J; Marian CM
J Phys Chem A; 2005 Sep; 109(37):8410-8. PubMed ID: 16834234
[TBL] [Abstract][Full Text] [Related]
26. Excited states of thiophene: ring opening as deactivation mechanism.
Salzmann S; Kleinschmidt M; Tatchen J; Weinkauf R; Marian CM
Phys Chem Chem Phys; 2008 Jan; 10(3):380-92. PubMed ID: 18174980
[TBL] [Abstract][Full Text] [Related]
27. A diffusion quantum Monte Carlo study on the lowest singlet and triplet electronic states of BN molecule.
Lu SI
J Chem Phys; 2005 Nov; 123(17):174313. PubMed ID: 16375534
[TBL] [Abstract][Full Text] [Related]
28. Nonadiabatic molecular dynamics simulations of correlated electrons in solution. 1. Full configuration interaction (CI) excited-state relaxation dynamics of hydrated dielectrons.
Larsen RE; Schwartz BJ
J Phys Chem B; 2006 May; 110(19):9681-91. PubMed ID: 16686519
[TBL] [Abstract][Full Text] [Related]
29. Cavity ringdown spectrum of the T(1)(n,pi*) <-- S(0) transition of 4-cyclopentene-1,3-dione.
Springer MG; Hlavacek NC; Jagusch SP; Johnson AR; Drucker S
J Phys Chem A; 2009 Nov; 113(47):13318-26. PubMed ID: 19735120
[TBL] [Abstract][Full Text] [Related]
30. Isotopic effects in the electronic spectra of tryptophan.
Zolotarev YA; Borisov YA; Dadayan AK; Myasoedov NF
Amino Acids; 2006 Nov; 31(4):403-7. PubMed ID: 16583318
[TBL] [Abstract][Full Text] [Related]
31. Large amplitude out-of-plane vibrations of 1,3-benzodioxole in the S0 and S1 states: an analysis of fluorescence and excitation spectra by ab initio calculations.
Emanuele E; Orlandi G
J Phys Chem A; 2005 Jul; 109(29):6471-82. PubMed ID: 16833992
[TBL] [Abstract][Full Text] [Related]
32. Conical intersections in thymine.
Perun S; Sobolewski AL; Domcke W
J Phys Chem A; 2006 Dec; 110(49):13238-44. PubMed ID: 17149840
[TBL] [Abstract][Full Text] [Related]
33. Formylmethylene: the triplet ground state and the lowest singlet state.
Guan J; Randall KR; Schaefer HF; Li H
J Phys Chem A; 2013 Mar; 117(10):2152-9. PubMed ID: 23406310
[TBL] [Abstract][Full Text] [Related]
34. Signatures of H2CO photodissociation from two electronic states.
Yin HM; Kable SH; Zhang X; Bowman JM
Science; 2006 Mar; 311(5766):1443-6. PubMed ID: 16527976
[TBL] [Abstract][Full Text] [Related]
35. [A quantum chemical study of pi-back-donation bond and Raman intensity of 1 sigma + electronic state of Pt-CO molecule].
Wu D; Xu X; Ren B; Cao Z; Shi P; Tian Z
Guang Pu Xue Yu Guang Pu Fen Xi; 2000 Dec; 20(6):793-6. PubMed ID: 12938471
[TBL] [Abstract][Full Text] [Related]
36. Molecular structure, vinyl rotation barrier, and vibrational dynamics of 2,6-dichlorostyrene. A theoretical and experimental research.
Ceacero-Vega AA; Ruiz TP; Gómez MF; Roldán JM; Navarro A; Fernández-Liencres MP; Jayasooriya UA
J Phys Chem A; 2007 Jul; 111(28):6406-19. PubMed ID: 17591757
[TBL] [Abstract][Full Text] [Related]
37. Vibrational assignments and electronic structure calculations for 3-acetylcoumarin.
Ramoji A; Yenagi J; Tonannavar J; Jadhav VB; Kulkarni MV
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):504-9. PubMed ID: 17329161
[TBL] [Abstract][Full Text] [Related]
38. A theoretical, spectroscopic, and photophysical study of 2,7-carbazolenevinylene-based conjugated derivatives.
Belletête M; Morin JF; Leclerc M; Durocher G
J Phys Chem A; 2005 Aug; 109(31):6953-9. PubMed ID: 16834054
[TBL] [Abstract][Full Text] [Related]
39. FT-IR, FT-Raman spectra and quantum chemical calculations of 3,4-dimethoxyaniline.
Sundaraganesan N; Priya M; Meganathan C; Joshua BD; Cornard JP
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun; 70(1):50-9. PubMed ID: 17765601
[TBL] [Abstract][Full Text] [Related]
40. Study of the thymine molecule: equilibrium structure from joint analysis of gas-phase electron diffraction and microwave data and assignment of vibrational spectra using results of ab initio calculations.
Vogt N; Khaikin LS; Grikina OE; Rykov AN; Vogt J
J Phys Chem A; 2008 Aug; 112(33):7662-70. PubMed ID: 18665577
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
