-
1
-
-
0004074324
-
-
edited by J. W. Emsley (Reidel Publishing Company, Dordrecht, Germany
-
Nuclear Magnetic Resonance of Liquid Crystals, edited by, J. W. Emsley, (Reidel Publishing Company, Dordrecht, Germany, 1985).
-
(1985)
Nuclear Magnetic Resonance of Liquid Crystals
-
-
-
3
-
-
78651323401
-
-
in edited by J. C. Lindon, G. E. Tranter, and J. L. Holmes (Academic, San Diego
-
L. Calucci and C. A. Veracini, in Encyclopedia of Spectroscopy and Spectrometry, edited by, J. C. Lindon, G. E. Tranter, and, J. L. Holmes, (Academic, San Diego, 2000), Vol. 2, pp. 1179-1186.
-
(2000)
Encyclopedia of Spectroscopy and Spectrometry
, vol.2
, pp. 1179-1186
-
-
Calucci, L.1
Veracini, C.A.2
-
4
-
-
29144444154
-
-
10.1016/S0066-4103(04)53002-8
-
R. Y. Dong, Annu. Rep. NMR Spectrosc. 53, 67 (2004). 10.1016/S0066- 4103(04)53002-8
-
(2004)
Annu. Rep. NMR Spectrosc.
, vol.53
, pp. 67
-
-
Dong, R.Y.1
-
5
-
-
1542367044
-
-
10.1006/jmra.1996.0153
-
G. Celebre, F. Castiglione, M. Longeri, and J. W. Emsley, J. Magn. Reson., Ser. A 121, 139 (1996). 10.1006/jmra.1996.0153
-
(1996)
J. Magn. Reson., Ser. A
, vol.121
, pp. 139
-
-
Celebre, G.1
Castiglione, F.2
Longeri, M.3
Emsley, J.W.4
-
6
-
-
0348183162
-
-
edited by E. E. Burnell and C. A. de Lange (Kluwer Academic, Dordrecht
-
NMR of Ordered Liquids, edited by, E. E. Burnell, and, C. A. de Lange, (Kluwer Academic, Dordrecht, 2003).
-
(2003)
NMR of Ordered Liquids
-
-
-
8
-
-
34248169639
-
-
10.1021/jp066710u
-
D. Catalano, M. Geppi, A. Marini, C. A. Veracini, S. Urban, J. Csub, W. Kuczynski, and R. Dabrowski, J. Phys. Chem. C 111, 5286 (2007). 10.1021/jp066710u
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 5286
-
-
Catalano, D.1
Geppi, M.2
Marini, A.3
Veracini, C.A.4
Urban, S.5
Csub, J.6
Kuczynski, W.7
Dabrowski, R.8
-
9
-
-
50549099103
-
-
10.1021/jp800378g
-
M. Geppi, A. Marini, C. A. Veracini, S. Urban, J. Csub, W. Kuczynski, and R. Dabrowski, J. Phys. Chem. B 112, 9663 (2008). 10.1021/jp800378g
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 9663
-
-
Geppi, M.1
Marini, A.2
Veracini, C.A.3
Urban, S.4
Csub, J.5
Kuczynski, W.6
Dabrowski, R.7
-
10
-
-
72149094054
-
-
10.1021/jp908241n
-
S. Borsacchi, L. Calucci, J. Csub, R. Dabrowski, M. Geppi, W. Kuczynski, A. Marini, B. Mennuci, and S. Urban, J. Phys. Chem. B 113, 15783 (2009). 10.1021/jp908241n
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 15783
-
-
Borsacchi, S.1
Calucci, L.2
Csub, J.3
Dabrowski, R.4
Geppi, M.5
Kuczynski, W.6
Marini, A.7
Mennuci, B.8
Urban, S.9
-
11
-
-
34548557211
-
-
10.1021/jp0730693
-
R. Y. Dong, M. Geppi, A. Marini, V. Hamplova, M. Kaspar, C. A. Veracini, and J. Zhang, J. Phys. Chem. B 111, 9787 (2007). 10.1021/jp0730693
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 9787
-
-
Dong, R.Y.1
Geppi, M.2
Marini, A.3
Hamplova, V.4
Kaspar, M.5
Veracini, C.A.6
Zhang, J.7
-
13
-
-
3042640517
-
-
edited by M. Kaupp, V. G. Malkin, and M. Bühl (Wiley-VHC, Würzburg, 10.1002/3527601678
-
Calculation of NMR and EPR Parameters, edited by, M. Kaupp, V. G. Malkin, and, M. Bühl, (Wiley-VHC, Würzburg, 2004). 10.1002/3527601678
-
(2004)
Calculation of NMR and EPR Parameters
-
-
-
14
-
-
43949137446
-
-
in edited by B. Mennucci and R. Cammi (John Wiley and Sons, Ltd., Chichester, UK
-
J. Tomasi, in Continuum Solvation Models in Chemical Physics: Theory and Applications, edited by, B. Mennucci, and, R. Cammi, (John Wiley and Sons, Ltd., Chichester, UK, 2007), Chap..
-
(2007)
Continuum Solvation Models in Chemical Physics: Theory and Applications
-
-
Tomasi, J.1
-
16
-
-
0000254307
-
-
10.1080/02678298708086680
-
D. Catalano, C. Forte, C. A. Veracini, J. W. Emsley, and G. N. Shilstone, Liq. Cryst. 2, 345 (1987). 10.1080/02678298708086680
-
(1987)
Liq. Cryst.
, vol.2
, pp. 345
-
-
Catalano, D.1
Forte, C.2
Veracini, C.A.3
Emsley, J.W.4
Shilstone, G.N.5
-
18
-
-
78651327067
-
-
M. J. Frisch, Gaussian, Inc., Wallingford, CT, 2006
-
M. J. Frisch, Gaussian, Inc., Wallingford, CT, 2006.
-
-
-
-
19
-
-
4243553426
-
-
10.1103/PhysRevA.38.3098
-
A. D. Becke, Phys. Rev. A 38, 3098 (1988). 10.1103/PhysRevA.38.3098
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
21
-
-
33751157732
-
-
10.1021/j100096a001
-
P. J. Stephens, F. J. Devlin, C. H. Chabalowski, and M. Frisch, J. Phys. Chem. 98, 11623 (1994). 10.1021/j100096a001
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.H.3
Frisch, M.4
-
24
-
-
40749094858
-
-
10.1080/00268977400100711
-
R. Ditchfield, Mol. Phys. 27, 789 (1974). 10.1080/00268977400100711
-
(1974)
Mol. Phys.
, vol.27
, pp. 789
-
-
Ditchfield, R.1
-
25
-
-
0003754095
-
-
in edited by P. Ziesche and H. Eschig (Akademie Verlag, Berlin
-
J. P. Perdew, in Electronic Structure of Solids '91, edited by, P. Ziesche, and, H. Eschig, (Akademie Verlag, Berlin, 1991).
-
(1991)
Electronic Structure of Solids '91
-
-
Perdew, J.P.1
-
28
-
-
0034619310
-
-
10.1016/S0022-2860(00)00672-4
-
T. Tsuji, H. Takashima, H. Takeuchi, T. Egawa, and S. Konaka, J. Mol. Struct. 554, 203 (2000). 10.1016/S0022-2860(00)00672-4
-
(2000)
J. Mol. Struct.
, vol.554
, pp. 203
-
-
Tsuji, T.1
Takashima, H.2
Takeuchi, H.3
Egawa, T.4
Konaka, S.5
-
29
-
-
67849101067
-
-
10.1021/ct900002p
-
I. Cacelli, A. Cimoli, L. De Gaetani, G. Prampolini, and A. Tani, J. Chem. Theory Comput. 5, 1865 (2009). 10.1021/ct900002p
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 1865
-
-
Cacelli, I.1
Cimoli, A.2
De Gaetani, L.3
Prampolini, G.4
Tani, A.5
-
31
-
-
78651317776
-
-
See supplementary material at http://link.aps.org/supplemental/10.1103/ PhysRevE.82.041702 for Torsional energy profiles extracted from the PES of MAB; components and Boltzmann average of the CSTs determined for different MAB conformations; results of the global fitting the 2H NMR data.
-
-
-
-
33
-
-
27944504428
-
-
in edited by G. A. Webb (Royal Society of Chemistry, Cambridge
-
C. J. Jameson, in Specialistic Periodic Reports Nuclear Magnetic Resonance, edited by, G. A. Webb, (Royal Society of Chemistry, Cambridge, 1994), Vol. 23.
-
(1994)
Specialistic Periodic Reports Nuclear Magnetic Resonance
, vol.23
-
-
Jameson, C.J.1
|