136 related articles for article (PubMed ID: 17530834)
1. Glycine in an electronically excited state: ab initio electronic structure and dynamical calculations.
Muchová E; Slavícek P; Sobolewski AL; Hobza P
J Phys Chem A; 2007 Jun; 111(24):5259-69. PubMed ID: 17530834
[TBL] [Abstract][Full Text] [Related]
2. Photodissociation of HBr. 1. Electronic structure, photodissociation dynamics, and vector correlation coefficients.
Smolin AG; Vasyutinskii OS; Balint-Kurti GG; Brown A
J Phys Chem A; 2006 Apr; 110(16):5371-8. PubMed ID: 16623464
[TBL] [Abstract][Full Text] [Related]
3. On the origin of the ultrafast internal conversion of electronically excited pyrimidine bases.
Zgierski MZ; Patchkovskii S; Fujiwara T; Lim EC
J Phys Chem A; 2005 Oct; 109(42):9384-7. PubMed ID: 16866385
[TBL] [Abstract][Full Text] [Related]
4. Time-dependent quantum wave-packet description of the 1pi sigma* photochemistry of phenol.
Lan Z; Domcke W; Vallet V; Sobolewski AL; Mahapatra S
J Chem Phys; 2005 Jun; 122(22):224315. PubMed ID: 15974676
[TBL] [Abstract][Full Text] [Related]
5. Resonance spectrum and dissociation dynamics of ozone in the 3B2 electronically excited state: experiment and theory.
Deppe SF; Wachsmuth U; Abel B; Bittererová M; Grebenshchikov SY; Siebert R; Schinke R
J Chem Phys; 2004 Sep; 121(11):5191-200. PubMed ID: 15352812
[TBL] [Abstract][Full Text] [Related]
6. Photochemistry of pyrrole: time-dependent quantum wave-packet description of the dynamics at the 1pi sigma*-S0 conical intersections.
Vallet V; Lan Z; Mahapatra S; Sobolewski AL; Domcke W
J Chem Phys; 2005 Oct; 123(14):144307. PubMed ID: 16238391
[TBL] [Abstract][Full Text] [Related]
7. 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; 121(10):4585-98. PubMed ID: 15332889
[TBL] [Abstract][Full Text] [Related]
8. Ab initio study on the photochemical behavior of styrene.
Amatatsu Y
J Comput Chem; 2002 Jul; 23(10):950-6. PubMed ID: 12116400
[TBL] [Abstract][Full Text] [Related]
9. Ab initio and quantum-defect calculations for the Rydberg states of ArH.
Kirrander A; Child MS; Stolyarov AV
Phys Chem Chem Phys; 2006 Jan; 8(2):247-55. PubMed ID: 16482267
[TBL] [Abstract][Full Text] [Related]
10. A fast photoswitch for minimally perturbed peptides: investigation of the trans-->cis photoisomerization of N-methylthioacetamide.
Helbing J; Bregy H; Bredenbeck J; Pfister R; Hamm P; Huber R; Wachtveitl J; De Vico L; Olivucci M
J Am Chem Soc; 2004 Jul; 126(28):8823-34. PubMed ID: 15250736
[TBL] [Abstract][Full Text] [Related]
11. Quantum-chemical study of the structure of the acetyl fluoride molecule in the ground and lowest excited singlet and triplet electronic states.
Kudich AV; Bataev VA; Abramenkov AV; Godunov IA
Spectrochim Acta A Mol Biomol Spectrosc; 2004 Jul; 60(8-9):1995-2003. PubMed ID: 15248978
[TBL] [Abstract][Full Text] [Related]
12. Quantum fluctuation of electronic wave-packet dynamics coupled with classical nuclear motions.
Amano M; Takatsuka K
J Chem Phys; 2005 Feb; 122(8):84113. PubMed ID: 15836026
[TBL] [Abstract][Full Text] [Related]
13. Photoionization-induced dynamics of ammonia: ab initio potential energy surfaces and time-dependent wave packet calculations for the ammonia cation.
Viel A; Eisfeld W; Neumann S; Domcke W; Manthe U
J Chem Phys; 2006 Jun; 124(21):214306. PubMed ID: 16774406
[TBL] [Abstract][Full Text] [Related]
14. Ab initio characterization of electron transfer coupling in photoinduced systems: generalized Mulliken-Hush with configuration-interaction singles.
Chen HC; Hsu CP
J Phys Chem A; 2005 Dec; 109(51):11989-95. PubMed ID: 16366653
[TBL] [Abstract][Full Text] [Related]
15. Effects of (multi)branching of dipolar chromophores on photophysical properties and two-photon absorption.
Katan C; Terenziani F; Mongin O; Werts MH; Porrès L; Pons T; Mertz J; Tretiak S; Blanchard-Desce M
J Phys Chem A; 2005 Apr; 109(13):3024-37. PubMed ID: 16833626
[TBL] [Abstract][Full Text] [Related]
16. Ab initio study of the ionization of the DNA bases: ionization potentials and excited states of the cations.
Cauët E; Dehareng D; Liévin J
J Phys Chem A; 2006 Jul; 110(29):9200-11. PubMed ID: 16854034
[TBL] [Abstract][Full Text] [Related]
17. Photodissociation of bromobenzene, dibromobenzene, and 1,3,5-tribromobenzene.
Liu YJ; Persson P; Karlsson HO; Lunell S; Kadi M; Karlsson D; Davidsson J
J Chem Phys; 2004 Apr; 120(14):6502-9. PubMed ID: 15267540
[TBL] [Abstract][Full Text] [Related]
18. Theoretical study of the hydrogen atom transfer in the heterodimer indole-ammonia and comparison with experimental results.
Ritze HH; Lippert H; Stert V; Radloff W; Hertel IV
J Chem Phys; 2004 Feb; 120(8):3619-29. PubMed ID: 15268523
[TBL] [Abstract][Full Text] [Related]
19. Quantum wave packet ab initio molecular dynamics: an approach to study quantum dynamics in large systems.
Iyengar SS; Jakowski J
J Chem Phys; 2005 Mar; 122(11):114105. PubMed ID: 15836199
[TBL] [Abstract][Full Text] [Related]
20. Molecular conformations and relative stabilities can be as demanding of the electronic structure method as intermolecular calculations.
van Mourik T; Karamertzanis PG; Price SL
J Phys Chem A; 2006 Jan; 110(1):8-12. PubMed ID: 16392833
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
