Long distance chiral transfer in a gel: Experimental and ab initio analyses of vibrational circular dichroism spectra of R- and S-12-hydroxyoctadecanoic acid gels

Long Distance ◽

Toward Ab Initio Anharmonic Vibrational Circular Dichroism Spectra in the Condensed Phase

The Journal of Physical Chemistry Letters ◽

10.1021/jz3006139 ◽

2012 ◽

Vol 3 (13) ◽

pp. 1766-1773 ◽

Cited By ~ 39

Author(s):

Chiara Cappelli ◽

Julien Bloino ◽

Filippo Lipparini ◽

Vincenzo Barone

Keyword(s):

Circular Dichroism ◽

Ab Initio ◽

Condensed Phase ◽

Ab initio calculation of vibrational circular dichroism spectra using large basis set MP2 force fields

Chemical Physics Letters ◽

10.1016/0009-2614(94)00605-9 ◽

1994 ◽

Vol 225 (1-3) ◽

pp. 247-257 ◽

Cited By ~ 38

Author(s):

P.J. Stephens ◽

C.F. Chabalowski ◽

F.J. Devlin ◽

K.J. Jalkanen

Keyword(s):

Circular Dichroism ◽

Ab Initio ◽

Ab Initio Calculation ◽

Force Fields ◽

Basis Set ◽

Chirality transfer through hydrogen-bonding: Experimental and ab initio analyses of vibrational circular dichroism spectra of methyl lactate in water

Physical Chemistry Chemical Physics ◽

10.1039/b703368k ◽

2007 ◽

Vol 9 (24) ◽

pp. 3127 ◽

Cited By ~ 101

Author(s):

Martin Losada ◽

Yunjie Xu

Keyword(s):

Hydrogen Bonding ◽

Circular Dichroism ◽

Ab Initio ◽

Chirality Transfer ◽

Methyl Lactate ◽

Ab Initio Calculation of Vibrational Circular Dichroism Spectra Using Gauge-Invariant Atomic Orbitals

The Journal of Physical Chemistry ◽

10.1021/j100041a004 ◽

1995 ◽

Vol 99 (41) ◽

pp. 14918-14922 ◽

Cited By ~ 35

Author(s):

K. L. Bak ◽

F. J. Devlin ◽

C. S. Ashvar ◽

P. R. Taylor ◽

M. J. Frisch ◽

...

Keyword(s):

Circular Dichroism ◽

Ab Initio ◽

Ab Initio Calculation ◽

Gauge Invariant ◽

Atomic Orbitals ◽

Ab Initio Calculation of Vibrational Circular Dichroism Spectra of Chiral Natural Products Using MP2 Force Fields: Camphor

Journal of the American Chemical Society ◽

10.1021/ja00090a062 ◽

1994 ◽

Vol 116 (11) ◽

pp. 5003-5004 ◽

Cited By ~ 21

Author(s):

F. J. Devlin ◽

P. J. Stephens

Keyword(s):

Natural Products ◽

Circular Dichroism ◽

Ab Initio ◽

Ab Initio Calculation ◽

Force Fields ◽

Multireference ab initio studies of zero-field splitting and magnetic circular dichroism spectra of tetrahedral Co(ii) complexes

Dalton Transactions ◽

10.1039/b902743b ◽

2009 ◽

pp. 6021 ◽

Cited By ~ 51

Author(s):

Mahesh Sundararajan ◽

Dmitry Ganyushin ◽

Shengfa Ye ◽

Frank Neese

Keyword(s):

Circular Dichroism ◽

Ab Initio ◽

Magnetic Circular Dichroism ◽

Zero Field ◽

Zero Field Splitting ◽

Magnetic Circular Dichroism Spectra

Field Splitting ◽

Circular Dichroïsm ◽

The Experimental Measurement of Vibrational Absorption and Vibrational Circular Dichroism Spectra

VCD Spectroscopy for Organic Chemists ◽

10.1201/b12278-4 ◽

2012 ◽

pp. 23-58

Keyword(s):

Circular Dichroism ◽

Experimental Measurement ◽

Vibrational Absorption ◽

Vibrational Circular Dichroism Spectra of Proteins in the Amide III Region: Measurement and Correlation of Bandshape to Secondary Structure

Analytical Biochemistry ◽

10.1006/abio.1997.2221 ◽

1997 ◽

Vol 250 (2) ◽

pp. 212-221 ◽

Cited By ~ 24

Author(s):

Bernoli I. Baello ◽

Petr Pancoska ◽

Timothy A. Keiderling

Keyword(s):

Circular Dichroism ◽

Secondary Structure ◽

ChemInform Abstract: Ab initio Localized MO Predictions of Vibrational Circular Dichroism: trans-1,2-Dideuteriocyclopropane.

ChemInform ◽

10.1002/chin.199121053 ◽

2010 ◽

Vol 22 (21) ◽

pp. no-no

Author(s):

P. L. POLAVARAPU ◽

P. K. BOSE

Keyword(s):

Circular Dichroism ◽

Ab Initio ◽

Localized Mo ◽

Ab initio Simulations of Coupled Peptide Vibrational Circular Dichroism

Fifth International Conference on the Spectroscopy of Biological Molecules ◽

10.1007/978-94-011-1934-4_10 ◽

1993 ◽

pp. 29-30

Author(s):

Petr Bour ◽

Timothy A. Keiderling

Keyword(s):

Circular Dichroism ◽

Ab Initio ◽

Ab Initio Simulations ◽