These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
4. Experimental and calculated vibrational and electronic circular dichroism spectra of 2-Br-hexahelicene. Abbate S; Lebon F; Longhi G; Fontana F; Caronna T; Lightner DA Phys Chem Chem Phys; 2009 Oct; 11(40):9039-43. PubMed ID: 19812823 [TBL] [Abstract][Full Text] [Related]
5. Calculation of electronic circular dichroism spectra with time-dependent double-hybrid density functional theory. Goerigk L; Grimme S J Phys Chem A; 2009 Jan; 113(4):767-76. PubMed ID: 19102628 [TBL] [Abstract][Full Text] [Related]
6. Vibronically resolved electronic circular dichroism spectra of (R)-(+)-3-methylcyclopentanone: a theoretical study. Lin N; Santoro F; Zhao X; Rizzo A; Barone V J Phys Chem A; 2008 Dec; 112(48):12401-11. PubMed ID: 18998661 [TBL] [Abstract][Full Text] [Related]
7. Performance of conventional and range-separated hybrid density functionals in calculations of electronic circular dichroism spectra of transition metal complexes. Rudolph M; Autschbach J J Phys Chem A; 2011 Dec; 115(51):14677-86. PubMed ID: 22082193 [TBL] [Abstract][Full Text] [Related]
8. Conformational effects induced by guest encapsulation in an enantiopure water-soluble cryptophane. Bouchet A; Brotin T; Linares M; Ågren H; Cavagnat D; Buffeteau T J Org Chem; 2011 Mar; 76(5):1372-83. PubMed ID: 21268656 [TBL] [Abstract][Full Text] [Related]
9. Circular dichroism, optical rotation and absolute configuration of 2-cyclohexenone-cis-diol type phenol metabolites: redefining the role of substituents and 2-cyclohexenone conformation in electronic circular dichroism spectra. Kwit M; Gawronski J; Boyd DR; Sharma ND; Kaik M Org Biomol Chem; 2010 Dec; 8(24):5635-45. PubMed ID: 20941423 [TBL] [Abstract][Full Text] [Related]
10. Ab initio study of excited state electronic circular dichroism. Two prototype cases: methyl oxirane and R-(+)-1,1'-bi(2-naphthol). Rizzo A; Vahtras O J Chem Phys; 2011 Jun; 134(24):244109. PubMed ID: 21721614 [TBL] [Abstract][Full Text] [Related]
11. Triggering dissymmetry in achiral dye molecules by chiral solvents: Circular dichroism experiments and DFT calculations. Abbate S; Lebon F; Longhi G; Passarello M; Liveri VT Chirality; 2011 Nov; 23(10):910-5. PubMed ID: 21953775 [TBL] [Abstract][Full Text] [Related]
12. Theoretical analysis of the influence of chelate-ring size and vicinal effects on electronic circular dichroism spectra of cobalt(III) EDDA-type complexes. Wang A; Wang Y; Jia J; Feng L; Zhang C; Liu L J Phys Chem A; 2013 Jun; 117(24):5061-72. PubMed ID: 23713886 [TBL] [Abstract][Full Text] [Related]
14. Computational study of the one- and two-photon absorption and circular dichroism of (L)-tryptophan. Guillaume M; Ruud K; Rizzo A; Monti S; Lin Z; Xu X J Phys Chem B; 2010 May; 114(19):6500-12. PubMed ID: 20420407 [TBL] [Abstract][Full Text] [Related]
15. Studies on adsorption of mono- and multi-chromophoric hemicyanine dyes on silver nanoparticles by surface-enhanced resonance Raman and theoretical calculations. Biswas N; Thomas S; Kapoor S; Mishra A; Wategaonkar S; Mukherjee T J Chem Phys; 2008 Nov; 129(18):184702. PubMed ID: 19045418 [TBL] [Abstract][Full Text] [Related]
16. Theoretical calculation of electronic circular dichroism of the rotationally restricted 3,8''-biflavonoid morelloflavone. Ding Y; Li XC; Ferreira D J Org Chem; 2007 Nov; 72(24):9010-7. PubMed ID: 17958369 [TBL] [Abstract][Full Text] [Related]
17. Enantiomeric discorhabdin alkaloids and establishment of their absolute configurations using theoretical calculations of electronic circular dichroism spectra. Grkovic T; Ding Y; Li XC; Webb VL; Ferreira D; Copp BR J Org Chem; 2008 Nov; 73(22):9133-6. PubMed ID: 18855481 [TBL] [Abstract][Full Text] [Related]
18. Effect of periodic replacement of the heteroatom on the spectroscopic properties of indole and benzofuran derivatives. Muranaka A; Yasuike S; Liu CY; Kurita J; Kakusawa N; Tsuchiya T; Okuda M; Kobayashi N; Matsumoto Y; Yoshida K; Hashizume D; Uchiyama M J Phys Chem A; 2009 Jan; 113(2):464-73. PubMed ID: 19099440 [TBL] [Abstract][Full Text] [Related]
19. Ring-expanded bicyclic β-lactams: a structure-chiroptical properties relationship investigation by experiment and calculations. Woźnica M; Butkiewicz A; Grzywacz A; Kowalska P; Masnyk M; Michalak K; Luboradzki R; Furche F; Kruse H; Grimme S; Frelek J J Org Chem; 2011 May; 76(9):3306-19. PubMed ID: 21438506 [TBL] [Abstract][Full Text] [Related]
20. Electronic and vibrational circular dichroism of aromatic amino acids by density functional theory. Tanaka T; Kodama TS; Morita HE; Ohno T Chirality; 2006 Aug; 18(8):652-61. PubMed ID: 16736539 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]