The shape of the electronic circular dichroism spectrum of (2,6-dimethylphenyl)(phenyl)methanol: interplay between conformational equilibria and vibronic effects

2017 ◽  
Vol 19 (48) ◽  
pp. 32349-32360 ◽  
Author(s):  
Daniele Padula ◽  
Javier Cerezo ◽  
Gennaro Pescitelli ◽  
Fabrizio Santoro
Keyword(s):  
Circular Dichroism ◽  
Solvent Effects ◽  
Circular Dichroism Spectrum ◽  
Electronic Circular Dichroism ◽  
Conformational Equilibria ◽  
Circular Dichroïsm ◽  
Vibronic Effects

Analysis of the interplay between conformational equilibria, solvent effects and vibronic contributions in the ECD spectra.

Theoretical simulation of the electronic circular dichroism spectrum of calicheamicin

2005 ◽  
Vol 13 (17) ◽  
pp. 5072-5079 ◽  
Author(s):  
Egidio Giorgio ◽  
Katsunori Tanaka ◽  
Weidong Ding ◽  
Girija Krishnamurthy ◽  
Keith Pitts ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Circular Dichroism Spectrum ◽  
Electronic Circular Dichroism ◽  
Theoretical Simulation ◽  
Circular Dichroïsm

Electronic Circular Dichroism Spectroscopy of 1-(R)-Phenylethanol: The “Sector Rule” Revisited and an Exploration of Solvent Effects

2004 ◽  
Vol 44 (1-3) ◽  
pp. 27-36 ◽  
Author(s):  
Neil A. Macleod ◽  
Patrick Butz ◽  
John P. Simons ◽  
Guy H. Grant ◽  
Christopher M. Baker ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Solvent Effects ◽  
Circular Dichroism Spectroscopy ◽  
Electronic Circular Dichroism ◽  
Circular Dichroïsm

Importance of vibronic effects on the circular dichroism spectrum of dimethyloxirane

2005 ◽  
Vol 122 (23) ◽  
pp. 234305 ◽  
Author(s):  
Johannes Neugebauer ◽  
Evert Jan Baerends ◽  
Marcel Nooijen ◽  
Jochen Autschbach
Keyword(s):  
Circular Dichroism ◽  
Circular Dichroism Spectrum ◽  
Circular Dichroïsm ◽  
Vibronic Effects

Analysis of the Electronic Circular Dichroism Spectrum of (−)-[9](2,5)Pyridinophane

Chirality ◽  
2012 ◽  
Vol 24 (12) ◽  
pp. 994-1004 ◽  
Author(s):  
Daniele Padula ◽  
Lorenzo Di Bari ◽  
Fabrizio Santoro ◽  
Hans Gerlach ◽  
Antonio Rizzo
Keyword(s):  
Circular Dichroism ◽  
Circular Dichroism Spectrum ◽  
Electronic Circular Dichroism ◽  
Circular Dichroïsm
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