145 related articles for article (PubMed ID: 22978703)
1. 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]
2. 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]
3. 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]
4. 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]
5. Theoretical study of the resonance Raman spectra for meso-tetrakis(3,5-di-tertiarybutylphenyl)-porphyrin.
Zheng RH; Wei WM; Zhu LL; Shi Q
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec; 133():707-13. PubMed ID: 24996212
[TBL] [Abstract][Full Text] [Related]
6. Theoretical reproduction of the Q-band absorption spectrum of free-base chlorin.
Wójcik J; Ratuszna A; Peszke J; Wrzalik R
J Chem Phys; 2015 Jan; 142(3):034302. PubMed ID: 25612704
[TBL] [Abstract][Full Text] [Related]
7. 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]
8. Photodecay dynamics of octaethylporphine in the condensed phase explored via resonance Raman spectroscopy and density functional theory calculation.
Yin J; Wan J; Xu J; Wang H; Zheng X
Spectrochim Acta A Mol Biomol Spectrosc; 2011 May; 78(5):1416-23. PubMed ID: 21396881
[TBL] [Abstract][Full Text] [Related]
9. Resonance Raman spectroscopy and density functional theory calculation study of photodecay dynamics of tetra(4-carboxyphenyl) porphyrin.
Wan J; Wang H; Wu Z; Shun YC; Zheng X; Phillips DL
Phys Chem Chem Phys; 2011 Jun; 13(21):10183-90. PubMed ID: 21503331
[TBL] [Abstract][Full Text] [Related]
10. A computational study of the ground and excited state structure and absorption spectra of free-base N-confused porphine and free-base N-confused tetraphenylporphyrin.
Vyas S; Hadad CM; Modarelli DA
J Phys Chem A; 2008 Jul; 112(29):6533-49. PubMed ID: 18593108
[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. Excited state structural dynamics and Herzberg-Teller coupling of tetraphenylporphine explored via resonance Raman spectroscopy and density functional theory calculation.
Xu J; Wan J; Zhao Y; Lv M; Zheng X; Wang G; Wang H
Spectrochim Acta A Mol Biomol Spectrosc; 2010 May; 75(5):1381-7. PubMed ID: 20172758
[TBL] [Abstract][Full Text] [Related]
13. Excited state structural dynamics of tetra(4-aminophenyl)porphine in the condensed phase: resonance Raman spectroscopy and density functional theory calculation study.
Wang H; Xu J; Wan J; Zhao Y; Zheng X
J Phys Chem B; 2010 Mar; 114(10):3623-32. PubMed ID: 20175507
[TBL] [Abstract][Full Text] [Related]
14. Time-dependent approach to spin-vibronic coupling: implementation and assessment.
Etinski M; Rai-Constapel V; Marian CM
J Chem Phys; 2014 Mar; 140(11):114104. PubMed ID: 24655169
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. 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]
17. Time-Dependent Approach to Resonance Raman Spectra Including Duschinsky Rotation and Herzberg-Teller Effects: Formalism and Its Realistic Applications.
Ma H; Liu J; Liang W
J Chem Theory Comput; 2012 Nov; 8(11):4474-82. PubMed ID: 26605607
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. Insights for vibronic effects on spectral shapes of electronic circular dichroism and circularly polarized luminescence of aza[7]helicene.
Liu Y; Xu Q; Sun J; Wang L; He D; Wang M; Yang C
Spectrochim Acta A Mol Biomol Spectrosc; 2020 Oct; 239():118475. PubMed ID: 32470807
[TBL] [Abstract][Full Text] [Related]
20. Duschinsky, Herzberg-Teller, and Multiple Electronic Resonance Interferential Effects in Resonance Raman Spectra and Excitation Profiles. The Case of Pyrene.
Avila Ferrer FJ; Barone V; Cappelli C; Santoro F
J Chem Theory Comput; 2013 Aug; 9(8):3597-611. PubMed ID: 26584114
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
