Quantum-chemical calculations on the electronic circular dichroism of (−)-dibromophakellin and (−)-dibromophakell-statin

Quantum Chemical ◽

Electronic Circular Dichroism ◽

Electronic circular dichroism of disulphide bridge: Ab initio quantum-chemical calculations

The Journal of Chemical Physics ◽

10.1063/1.2759203 ◽

2007 ◽

Vol 127 (8) ◽

pp. 085102 ◽

Cited By ~ 14

Author(s):

Wojciech Skomorowski ◽

Magdalena Pecul ◽

Paweł Sałek ◽

Trygve Helgaker

Keyword(s):

Circular Dichroism ◽

Ab Initio ◽

Quantum Chemical ◽

Disulphide Bridge ◽

Electronic Circular Dichroism ◽

Conformational Analysis of Ac-NPGQ-NH2 and Ac-VPaH-NH2 by Vibrational Circular Dichroism Spectroscopy Combined with Molecular Dynamics and Quantum Chemical Calculations

Protein and Peptide Letters ◽

10.2174/092986607780363907 ◽

2007 ◽

Vol 14 (4) ◽

pp. 353-359 ◽

Cited By ~ 4

Author(s):

Attila Borics ◽

Richard Murphy ◽

Sandor Lovas

Keyword(s):

Molecular Dynamics ◽

Circular Dichroism ◽

Conformational Analysis ◽

Quantum Chemical ◽

Circular Dichroism Spectroscopy ◽

ChemInform Abstract: Electronic States of Benzo(a)pyrene. Linear and Magnetic Circular Dichroism, Polarized Fluorescence, and Quantum Chemical Calculations.

ChemInform ◽

10.1002/chin.199227044 ◽

2010 ◽

Vol 23 (27) ◽

pp. no-no

Author(s):

J. SPANGET-LARSEN ◽

J. WALUK ◽

S. ERIKSSON ◽

E. W. THULSTRUP

Keyword(s):

Circular Dichroism ◽

Quantum Chemical ◽

Magnetic Circular Dichroism ◽

Electronic States ◽

Polarized Fluorescence ◽

ChemInform Abstract: Electronic States of Chrysene. Linear and Magnetic Circular Dichroism and Quantum Chemical Calculations.

ChemInform ◽

10.1002/chin.199024044 ◽

1990 ◽

Vol 21 (24) ◽

Author(s):

J. SPANGET-LARSEN ◽

J. WALUK ◽

E. W. THULSTRUP

Keyword(s):

Circular Dichroism ◽

Quantum Chemical ◽

Magnetic Circular Dichroism ◽

Electronic States ◽

Unveiling excited-state chirality of binaphthols by sub-picosecond circular dichroism and quantum-chemical calculations

Organic Photonic Materials and Devices XXII ◽

10.1117/12.2539823 ◽

2020 ◽

Author(s):

Pascale Changenet ◽

Francois Hache

Keyword(s):

Circular Dichroism ◽

Excited State ◽

Quantum Chemical ◽

Electronic states of chrysene: linear and magnetic circular dichroism and quantum chemical calculations [Erratum to document cited in CA112(14):127928v]

The Journal of Physical Chemistry ◽

10.1021/j100380a072 ◽

1990 ◽

Vol 94 (17) ◽

pp. 6926-6926 ◽

Cited By ~ 1

Author(s):

Jens. Spanget-Larsen ◽

Jacek. Waluk ◽

Erik W. Thulstrup

Keyword(s):

Circular Dichroism ◽

Quantum Chemical ◽

Magnetic Circular Dichroism ◽

Electronic States ◽

Helical Superstructure and Charged Polarons Contributions to Optical Nonlinearity of 2-Methyl-4-nitroaniline Crystals Studied by Resonance Raman, Electron Paramagnetic Resonance, Circular Dichroism Spectroscopies, and Quantum Chemical Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp204168s ◽

2011 ◽

Vol 115 (26) ◽

pp. 7448-7455 ◽

Cited By ~ 12

Author(s):

M. Magdalena Szostak ◽

Henryk Chojnacki ◽

Katarzyna Piela ◽

Urszula Okwieka-Lupa ◽

Ewa Bidzińska ◽

...

Keyword(s):

Electron Paramagnetic Resonance ◽

Circular Dichroism ◽

Quantum Chemical ◽

Resonance Raman ◽

Optical Nonlinearity ◽

Paramagnetic Resonance ◽

Electron Paramagnetic ◽

Conformational landscape of l-threonine in neutral, acid and basic solutions from vibrational circular dichroism spectroscopy and quantum chemical calculations

Tetrahedron Asymmetry ◽

10.1016/j.tetasy.2013.09.025 ◽

2013 ◽

Vol 24 (24) ◽

pp. 1537-1547 ◽

Cited By ~ 15

Author(s):

María Mar Quesada-Moreno ◽

Ana África Márquez-García ◽

Juan Ramón Avilés-Moreno ◽

Juan Jesús López-González

Keyword(s):

Circular Dichroism ◽

Quantum Chemical ◽

Circular Dichroism Spectroscopy ◽

Conformational Landscape ◽

Basic Solutions ◽

Simulations of Solid-State Vibrational Circular Dichroism Spectroscopy of (S)-Alternarlactam by Using Fragmentation Quantum Chemical Calculations

The Journal of Physical Chemistry B ◽

10.1021/jp110152q ◽

2011 ◽

Vol 115 (12) ◽

pp. 2801-2813 ◽

Cited By ~ 26

Author(s):

Nan Jiang ◽

Ren Xiang Tan ◽

Jing Ma

Keyword(s):

Circular Dichroism ◽

Solid State ◽

Quantum Chemical ◽

Circular Dichroism Spectroscopy ◽

The absolute structures of separated PCB-methylsulfone enantiomers determined by vibrational circular dichroism and quantum chemical calculations

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(02)00084-2 ◽

2002 ◽

Vol 586 (1-3) ◽

pp. 159-166 ◽

Cited By ~ 15

Author(s):

Jens Döbler ◽

Nils Peters ◽

Christina Larsson ◽

Åke Bergman ◽

Ekkehard Geidel ◽

...

Keyword(s):

Circular Dichroism ◽

Quantum Chemical ◽

The Absolute ◽