-
1
-
-
0242322522
-
Nafie Absolute configuration determination of chiral molecules in the solution state using vibrational circular dichroism
-
DOI 10.1002/chir.10287
-
T. B. Freedman X. Cao R. K. Dukor L. A. Nafie Absolute configuration determination of chiral molecules in the solution state using vibrational circular dichroism Chirality 2003 15 743 758 (Pubitemid 37356644)
-
(2003)
Chirality
, vol.15
, Issue.9
, pp. 743-758
-
-
Freedman, T.B.1
Cao, X.2
Dukor, R.3
Nafie, L.A.4
-
2
-
-
0034063201
-
Determination of the structure of chiral molecules using ab initio vibrational circular dichroism spectroscopy
-
DOI 10.1002/(SICI)1520-636X(2000)12:4<172::AID-CHIR3>3.0.CO;2-6
-
P. J. Stephens F. J. Devlin Determination of the structure of chiral molecules using ab initio vibrational circular dichroism spectroscopy Chirality 2000 12 172 179 (Pubitemid 30253630)
-
(2000)
Chirality
, vol.12
, Issue.4
, pp. 172-179
-
-
Stephens, P.J.1
Devlin, F.J.2
-
3
-
-
33646235412
-
Quantum mechanical predictions of chiroptical vibrational properties
-
P. L. Polavarapu Quantum mechanical predictions of chiroptical vibrational properties Int. J. Quantum Chem. 2006 106 1809 1814
-
(2006)
Int. J. Quantum Chem.
, vol.106
, pp. 1809-1814
-
-
Polavarapu, P.L.1
-
5
-
-
33746320726
-
Towards the determination of the absolute configuration of complex molecular systems: Matrix isolation vibrational circular dichroism study of (R)-2-amino-1-propanol
-
DOI 10.1002/anie.200503319
-
G. Tarczay G. Magyarfalvi E. Vass Towards the Determination of the Absolute Configuration of Complex Molecular Systems: Matrix Isolation Vibrational Circular Dichroism Study of (R)-2-Amino-1-propanol Angew. Chem., Int. Ed. 2006 45 1775 1777 (Pubitemid 44105253)
-
(2006)
Angewandte Chemie - International Edition
, vol.45
, Issue.11
, pp. 1775-1777
-
-
Tarczay, G.1
Magyarfalvi, G.2
Vass, E.3
-
6
-
-
49349099121
-
Effects of Complex Formation on Vibrational Circular Dichroism Spectra
-
V. P. Nicu J. Neugebauer E. J. Baerends Effects of Complex Formation on Vibrational Circular Dichroism Spectra J. Phys. Chem. A 2008 112 6978 6991
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 6978-6991
-
-
Nicu, V.P.1
Neugebauer, J.2
Baerends, E.J.3
-
7
-
-
45149135283
-
Solvent effects on IR and VCD spectra of natural products: An experimental and theoretical VCD study of pulegone
-
E. Debie P. Bultinck W. Herrebout B. van der Veken Solvent effects on IR and VCD spectra of natural products: an experimental and theoretical VCD study of pulegone. Phys. Chem. Chem. Phys. 2008 10 3498 3508
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 3498-3508
-
-
Debie, E.1
Bultinck, P.2
Herrebout, W.3
Van Der Veken, B.4
-
8
-
-
77950196223
-
Robust normal modes in vibrational circular dichroism spectra
-
V. P. Nicu E. J. Baerends Robust normal modes in vibrational circular dichroism spectra Phys. Chem. Chem. Phys. 2009 11 6107
-
(2009)
Phys. Chem. Chem. Phys.
, vol.11
, pp. 6107
-
-
Nicu, V.P.1
Baerends, E.J.2
-
10
-
-
79960956933
-
Effects of classical and non-classical hydrogen bond formation on VCD spectra: A case study of 2-chloropropionic acid
-
10.1039/c1cp20797k
-
S. Góbi E. Vass G. Magyarfalvi G. Tarczay Effects of classical and non-classical hydrogen bond formation on VCD spectra: A case study of 2-chloropropionic acid Phys. Chem. Chem. Phys. 2011 10.1039/c1cp20797k
-
(2011)
Phys. Chem. Chem. Phys.
-
-
Góbi, S.1
Vass, E.2
Magyarfalvi, G.3
Tarczay, G.4
-
12
-
-
34250911946
-
Quantenmechanische Theorie der natürlichen optischen Aktivität von Flüssigkeiten und Gasen
-
L. Rosenfeld Quantenmechanische Theorie der natürlichen optischen Aktivität von Flüssigkeiten und Gasen Z. Phys. 1929 52 161 174
-
(1929)
Z. Phys.
, vol.52
, pp. 161-174
-
-
Rosenfeld, L.1
-
13
-
-
0000074580
-
Theory of vibrational circular dichroism
-
P. J. Stephens Theory of vibrational circular dichroism J. Phys. Chem. 1985 89 748 752
-
(1985)
J. Phys. Chem.
, vol.89
, pp. 748-752
-
-
Stephens, P.J.1
-
14
-
-
0006206694
-
Gauge dependence of vibrational magnetic dipole transition moments and rotational strengths
-
P. J. Stephens Gauge dependence of vibrational magnetic dipole transition moments and rotational strengths J. Phys. Chem. 1987 91 1712 1715
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 1712-1715
-
-
Stephens, P.J.1
-
15
-
-
0000719180
-
Theorie quantique des courants interatomiques dans les combinaisons aromatiques
-
F. London Theorie quantique des courants interatomiques dans les combinaisons aromatiques J. Phys. Radium 1937 8 397 409
-
(1937)
J. Phys. Radium
, vol.8
, pp. 397-409
-
-
London, F.1
-
16
-
-
37049170445
-
The physical significance of optical rotatory power
-
W. Kuhn The physical significance of optical rotatory power Trans. Faraday Soc. 1930 26 293 308
-
(1930)
Trans. Faraday Soc.
, vol.26
, pp. 293-308
-
-
Kuhn, W.1
-
18
-
-
80053274384
-
-
2013 Green Acres road, Fayetteville, Arkansas 72703
-
PQS version 3.2, Parallel Quantum Solutions, 2013 Green Acres road, Fayetteville, Arkansas 72703, 2006
-
(2006)
PQS Version 3.2, Parallel Quantum Solutions
-
-
-
19
-
-
0035836323
-
Left-right correlation energy
-
DOI 10.1080/00268970010018431
-
N. Handy A. Cohen Left-right correlation energy Mol. Phys. 2001 99 403 412 (Pubitemid 35227669)
-
(2001)
Molecular Physics
, vol.99
, Issue.5
, pp. 403-412
-
-
Handy, N.C.1
Cohen, A.J.2
-
20
-
-
77958084905
-
Is β-homo-proline a pseudo-γ-turn forming element of β-peptides? An IR and VCD spectroscopic study on Ac-β-HPro-NHMe in cryogenic matrices and solutions
-
S. Góbi K. Knapp E. Vass Z. Majer G. Magyarfalvi M. Hollósi G. Tarczay Is β-homo-proline a pseudo-γ-turn forming element of β-peptides? An IR and VCD spectroscopic study on Ac-β-HPro-NHMe in cryogenic matrices and solutions Phys. Chem. Chem. Phys. 2010 12 13603
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 13603
-
-
Góbi, S.1
Knapp, K.2
Vass, E.3
Majer, Z.4
Magyarfalvi, G.5
Hollósi, M.6
Tarczay, G.7
|