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.
3. Vibrationally resolved circular dichroism spectra of a molecule with isotopically engendered chirality. Lin N, Solheim H, Ruud K, Nooijen M, Santoro F, Zhao X, Kwit M, Skowronek P. Phys Chem Chem Phys; 2012 Mar 14; 14(10):3669-80. PubMed ID: 22314548 [Abstract] [Full Text] [Related]
6. 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 14; 128(22):224311. PubMed ID: 18554017 [Abstract] [Full Text] [Related]
15. Electronic and vibronic contributions to two-photon absorption in donor-acceptor-donor squaraine chromophores. Ohira S, Rudra I, Schmidt K, Barlow S, Chung SJ, Zhang Q, Matichak J, Marder SR, Brédas JL. Chemistry; 2008 Jun 14; 14(35):11082-91. PubMed ID: 18972462 [Abstract] [Full Text] [Related]
16. A theoretical study of the chiroptical properties of molecules with isotopically engendered chirality. Dierksen M, Grimme S. J Chem Phys; 2006 May 07; 124(17):174301. PubMed ID: 16689565 [Abstract] [Full Text] [Related]
18. Vibrationally resolved electronic circular dichroism and circularly polarized luminescence spectra of a boron-fused double helicene: A theoretical study. Xu Q, Liu Y, Zhao X, Chen S, Li Q, Wang M, Yang C. Spectrochim Acta A Mol Biomol Spectrosc; 2020 Apr 15; 231():118132. PubMed ID: 32058915 [Abstract] [Full Text] [Related]
19. Simulations of solid-state vibrational circular dichroism spectroscopy of (S)-alternarlactam by using fragmentation quantum chemical calculations. Jiang N, Tan RX, Ma J. J Phys Chem B; 2011 Mar 31; 115(12):2801-13. PubMed ID: 21391541 [Abstract] [Full Text] [Related]
20. Determination of the absolute configuration of a chiral oxadiazol-3-one calcium channel blocker, resolved using chiral chromatography, via concerted density functional theory calculations of its vibrational circular dichroism, electronic circular dichroism, and optical rotation. Stephens PJ, Devlin FJ, Gasparrini F, Ciogli A, Spinelli D, Cosimelli B. J Org Chem; 2007 Jun 22; 72(13):4707-15. PubMed ID: 17516678 [Abstract] [Full Text] [Related] Page: [Next] [New Search]