261 related articles for article (PubMed ID: 16164366)
1. A direct method for locating minimum-energy crossing points (MECPs) in spin-forbidden transitions and nonadiabatic reactions.
Chachiyo T; Rodriguez JH
J Chem Phys; 2005 Sep; 123(9):94711. PubMed ID: 16164366
[TBL] [Abstract][Full Text] [Related]
2. Theoretical study of thermal spin transition between the singlet state and the quintet state in the [Fe(2-picolylamine)(3)](2+) spin crossover system.
Shiota Y; Sato D; Juhász G; Yoshizawa K
J Phys Chem A; 2010 May; 114(18):5862-9. PubMed ID: 20405889
[TBL] [Abstract][Full Text] [Related]
3. Comparison of electronic structures and light-induced excited spin state trapping between [Fe(2-picolylamine)(3)](2+) and its iron(III) analogue.
Ando H; Nakao Y; Sato H; Sakaki S
Dalton Trans; 2010 Feb; 39(7):1836-45. PubMed ID: 20449430
[TBL] [Abstract][Full Text] [Related]
4. Light-induced excited-state spin trapping in tetrazole-based spin crossover systems.
Ordejón B; de Graaf C; Sousa C
J Am Chem Soc; 2008 Oct; 130(42):13961-8. PubMed ID: 18811164
[TBL] [Abstract][Full Text] [Related]
5. Computational analyses of singlet-singlet and singlet-triplet transitions in mononuclear gold-capped carbon-rich conjugated complexes.
Cao Z; Zhang Q
J Comput Chem; 2005 Sep; 26(12):1214-21. PubMed ID: 15957180
[TBL] [Abstract][Full Text] [Related]
6. Ground- and excited-state electronic structure of an iron-containing molecular spin photoswitch.
Rodriguez JH
J Chem Phys; 2005 Sep; 123(9):94709. PubMed ID: 16164364
[TBL] [Abstract][Full Text] [Related]
7. Reactions of F+(3P) and F+(1D) with silicon oxide. Possibility of spin-forbidden processes.
Trujillo C; Lamsabhi AM; Mó O; Yañez M
J Phys Chem A; 2006 Jun; 110(22):7130-7. PubMed ID: 16737263
[TBL] [Abstract][Full Text] [Related]
8. Light-induced excited spin state trapping: ab initio study of the physics at the molecular level.
Suaud N; Bonnet ML; Boilleau C; Labèguerie P; Guihéry N
J Am Chem Soc; 2009 Jan; 131(2):715-22. PubMed ID: 19072230
[TBL] [Abstract][Full Text] [Related]
9. Understanding the kinetics of spin-forbidden chemical reactions.
Harvey JN
Phys Chem Chem Phys; 2007 Jan; 9(3):331-43. PubMed ID: 17199148
[TBL] [Abstract][Full Text] [Related]
10. Effects of chain length and Au spin-orbit coupling on 3(pi pi*) emission from bridging Cn2- units: theoretical characterization of spin-forbidden radiative transitions in metal-capped one-dimensional carbon chains [H3PAu(C[triple bond]C)nAuPH3].
Cao Z; Zhang Q
Chemistry; 2004 Apr; 10(8):1920-5. PubMed ID: 15079831
[TBL] [Abstract][Full Text] [Related]
11. Density functional theory calculations of the lowest energy quintet and triplet states of model hemes: role of functional, basis set, and zero-point energy corrections.
Khvostichenko D; Choi A; Boulatov R
J Phys Chem A; 2008 Apr; 112(16):3700-11. PubMed ID: 18348545
[TBL] [Abstract][Full Text] [Related]
12. A theoretical study of the mechanism and kinetics of F+N3 reactions.
Ma H; Liu X; Bian W; Meng L; Zheng S
Chemphyschem; 2006 Aug; 7(8):1786-94. PubMed ID: 16888750
[TBL] [Abstract][Full Text] [Related]
13. A combined theoretical and experimental study on the role of spin states in the chemistry of Fe(CO)5 photoproducts.
Besora M; Carreón-Macedo JL; Cowan AJ; George MW; Harvey JN; Portius P; Ronayne KL; Sun XZ; Towrie M
J Am Chem Soc; 2009 Mar; 131(10):3583-92. PubMed ID: 19236096
[TBL] [Abstract][Full Text] [Related]
14. Nonadiabatic histidine dissociation of hexacoordinate heme in neuroglobin protein.
Zhang F; Ai YJ; Luo Y; Fang WH
J Phys Chem A; 2010 Feb; 114(4):1980-4. PubMed ID: 20050619
[TBL] [Abstract][Full Text] [Related]
15. CH4 activation by W atom in the gas phase: a case of two-state reactivity process.
Wang Y; Wang Q; Geng Z; Lv L; Si Y; Wang Q; Liu H; Cui D
J Phys Chem A; 2009 Dec; 113(49):13808-15. PubMed ID: 19860463
[TBL] [Abstract][Full Text] [Related]
16. Guided ion beam and theoretical studies of the reaction of Ag(+) with CS(2): Gas-phase thermochemistry of AgS(+) and AgCS(+) and insight into spin-forbidden reactions.
Armentrout PB; Kretzschmar I
J Chem Phys; 2010 Jan; 132(2):024306. PubMed ID: 20095673
[TBL] [Abstract][Full Text] [Related]
17. Spin-orbit effects on the photophysical properties of Ru(bpy)3(2+).
Heully JL; Alary F; Boggio-Pasqua M
J Chem Phys; 2009 Nov; 131(18):184308. PubMed ID: 19916605
[TBL] [Abstract][Full Text] [Related]
18. Does the solid-liquid crystal phase transition provoke the spin-state change in spin-crossover metallomesogens?
Seredyuk M; Gaspar AB; Ksenofontov V; Galyametdinov Y; Kusz J; Gütlich P
J Am Chem Soc; 2008 Jan; 130(4):1431-9. PubMed ID: 18181626
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. Spin-forbidden transitions in flavone.
Marian CM
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul; 73(1):1-5. PubMed ID: 19264543
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
