364 related articles for article (PubMed ID: 22502524)
1. Franck-Condon simulation of vibrationally resolved optical spectra for zinc complexes of phthalocyanine and tetrabenzoporphyrin including the Duschinsky and Herzberg-Teller effects.
Guo M; He R; Dai Y; Shen W; Li M; Zhu C; Lin SH
J Chem Phys; 2012 Apr; 136(14):144313. PubMed ID: 22502524
[TBL] [Abstract][Full Text] [Related]
2. Influence of Duschinsky and Herzberg-Teller effects on S₀→ S₁ vibrationally resolved absorption spectra of several porphyrin-like compounds.
Yang P; Qi D; You G; Shen W; Li M; He R
J Chem Phys; 2014 Sep; 141(12):124304. PubMed ID: 25273434
[TBL] [Abstract][Full Text] [Related]
3. Vibrationally resolved ¹Lb (¹A')↔S0 (¹A') electronic spectra of benzimidazole and indene: Influence of Duschinsky and Herzberg-Teller effects on weak dipole-allowed transitions.
Yang P; Pang M; Li M; Shen W; He R
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Dec; 151():375-84. PubMed ID: 26143330
[TBL] [Abstract][Full Text] [Related]
4. Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg-Teller effect: the Qx band of porphyrin as a case study.
Santoro F; Lami A; Improta R; Bloino J; Barone V
J Chem Phys; 2008 Jun; 128(22):224311. PubMed ID: 18554017
[TBL] [Abstract][Full Text] [Related]
5. Ground and excited states of zinc phthalocyanine, zinc tetrabenzoporphyrin, and azaporphyrin analogs using DFT and TDDFT with Franck-Condon analysis.
Theisen RF; Huang L; Fleetham T; Adams JB; Li J
J Chem Phys; 2015 Mar; 142(9):094310. PubMed ID: 25747084
[TBL] [Abstract][Full Text] [Related]
6. Density functional calculations of the vibronic structure of electronic absorption spectra.
Dierksen M; Grimme S
J Chem Phys; 2004 Feb; 120(8):3544-54. PubMed ID: 15268516
[TBL] [Abstract][Full Text] [Related]
7. Stellar and 0ther high-temperature molecules.
Weltner W
Science; 1967 Jan; 155(3759):155-64. PubMed ID: 17738213
[TBL] [Abstract][Full Text] [Related]
8. Photophysics and spectroscopy of the higher electronic states of zinc metalloporphyrins: a theoretical and experimental study.
Liu X; Yeow EK; Velate S; Steer RP
Phys Chem Chem Phys; 2006 Mar; 8(11):1298-309. PubMed ID: 16633610
[TBL] [Abstract][Full Text] [Related]
9. Anharmonic Franck-Condon simulation of the absorption and fluorescence spectra for the low-lying S1 and S2 excited states of pyridine.
Wang H; Zhu C; Yu JG; Lin SH
J Phys Chem A; 2009 Dec; 113(52):14407-14. PubMed ID: 19572679
[TBL] [Abstract][Full Text] [Related]
10. Theoretical study on resonance Raman spectra of meso-tetrakis(3,5-di-tertiarybutylphenyl)-porphyrin due to the second-order Herzberg-Teller mechanism.
Zheng RH; Wei WM; Yan YM
Spectrochim Acta A Mol Biomol Spectrosc; 2020 Nov; 241():118659. PubMed ID: 32652289
[TBL] [Abstract][Full Text] [Related]
11. Theory for vibrationally resolved two-photon circular dichroism spectra. Application to (R)-(+)-3-methylcyclopentanone.
Lin N; Santoro F; Rizzo A; Luo Y; Zhao X; Barone V
J Phys Chem A; 2009 Apr; 113(16):4198-207. PubMed ID: 19253990
[TBL] [Abstract][Full Text] [Related]
12. Vibrationally high-resolved electronic spectra of MCl2 (M=C, Si, Ge, Sn, Pb) and photoelectron spectra of MCl2(.).
Ran Y; Pang M; Shen W; Li M; He R
Spectrochim Acta A Mol Biomol Spectrosc; 2016 Oct; 167():1-11. PubMed ID: 27280730
[TBL] [Abstract][Full Text] [Related]
13. Theory of excited state decays and optical spectra: application to polyatomic molecules.
Niu Y; Peng Q; Deng C; Gao X; Shuai Z
J Phys Chem A; 2010 Aug; 114(30):7817-31. PubMed ID: 20666533
[TBL] [Abstract][Full Text] [Related]
14. Generating function approach to the calculation of spectral band shapes of free-base chlorin including Duschinsky and Herzberg-Teller effects.
Borrelli R; Capobianco A; Peluso A
J Phys Chem A; 2012 Oct; 116(40):9934-40. PubMed ID: 22978703
[TBL] [Abstract][Full Text] [Related]
15. Excited state ab initio and Franck-Condon simulation of S1 → S0 fluorescence excitation spectra of p-, m-, and o-difluorobenzenes.
Yang Q; He R; Shen W; Li H; Li M; Zhu C; Lin SH
J Phys Chem A; 2011 Dec; 115(48):14022-33. PubMed ID: 22017741
[TBL] [Abstract][Full Text] [Related]
16. On the spectral profile change in the Q band absorption spectra of metalloporphyrins (Mg, Zn, and Pd): A first-principles study.
Pan Y; Li L; Qiu F; Wei Y; Hua W; Tian G
J Chem Phys; 2019 Apr; 150(16):164308. PubMed ID: 31042882
[TBL] [Abstract][Full Text] [Related]
17. Integrated computational approach to vibrationally resolved electronic spectra: anisole as a test case.
Bloino J; Biczysko M; Crescenzi O; Barone V
J Chem Phys; 2008 Jun; 128(24):244105. PubMed ID: 18601315
[TBL] [Abstract][Full Text] [Related]
18. Vibronic coupling in indole: I. Theoretical description of the 1La-1Lb interaction and the electronic spectrum.
Brand C; Küpper J; Pratt DW; Meerts WL; Krügler D; Tatchen J; Schmitt M
Phys Chem Chem Phys; 2010 May; 12(19):4968-79. PubMed ID: 20411191
[TBL] [Abstract][Full Text] [Related]
19. The characterization of the high-frequency vibronic contributions to the 77 K emission spectra of ruthenium-am(m)ine-bipyridyl complexes, their attenuation with decreasing energy gaps, and the implications of strong electronic coupling for inverted-region electron transfer.
Xie P; Chen YJ; Uddin MJ; Endicott JF
J Phys Chem A; 2005 Jun; 109(21):4671-89. PubMed ID: 16833808
[TBL] [Abstract][Full Text] [Related]
20. Duschinsky mixing between four non-totally symmetric normal coordinates in the S(1)-S(0) vibronic structure of (E)-phenylvinylacetylene: a quantitative analysis.
Müller CW; Newby JJ; Liu CP; Rodrigo CP; Zwier TS
Phys Chem Chem Phys; 2010 Mar; 12(10):2331-43. PubMed ID: 20449346
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]