-
2
-
-
0346341238
-
-
10.1002/jcc.10351
-
C. F. Guerra, J. W. Handgraaf, E. J. Baerends, and F. M. Bickelhaupt, J. Comput. Chem. 25, 189 (2004); 10.1002/jcc.10351
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 189
-
-
Guerra, C.F.1
Handgraaf, J.W.2
Baerends, E.J.3
Bickelhaupt, F.M.4
-
6
-
-
0036722810
-
-
10.1002/jcc.10067
-
F. De Proft, C. Van Alsenoy, A. Peeters, W. Langenaeker and P. Geerlings, J. Comput. Chem. 23, 1198 (2002); 10.1002/jcc.10067
-
(2002)
J. Comput. Chem.
, vol.23
, pp. 1198
-
-
De Proft, F.1
Van Alsenoy, C.2
Peeters, A.3
Langenaeker, W.4
Geerlings, P.5
-
7
-
-
11644300961
-
-
10.1002/(SICI)1096-987X(199803) 19:4<377::AID-JCC1>3.0.CO;2-P
-
E. Sigfridsson and U. Ryde, J. Comput. Chem. 19, 377 (1998); 10.1002/(SICI)1096-987X(199803)19:4<377::AID-JCC1>3.0.CO;2-P
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 377
-
-
Sigfridsson, E.1
Ryde, U.2
-
8
-
-
0003849463
-
-
in, edited by J. M. Seminario (Elsevier Science B.V., Amsterdam).
-
F. De Proft, P. Geerlings, and J. M. L. Martin, in Recent Developments and Applications of Modern Density Functional Theory, edited by, J. M. Seminario, (Elsevier Science B.V., Amsterdam 1996).
-
(1996)
Recent Developments and Applications of Modern Density Functional Theory
-
-
De Proft, F.1
Geerlings, P.2
Martin, J.M.L.3
-
11
-
-
0002978250
-
Quantitative intensity studies and dipole moment derivatives
-
in, edited by M. Davies (Elsevier, Amsterdam)
-
J. Overend, " Quantitative intensity studies and dipole moment derivatives.," in Infrared Spectroscopy and Molecular Structure, edited by, M. Davies, (Elsevier, Amsterdam, 1963), p. 345;
-
(1963)
Infrared Spectroscopy and Molecular Structure
, pp. 345
-
-
Overend, J.1
-
18
-
-
0001185436
-
-
10.1016/0022-2852(75)90296-9
-
J. C. Decius, J. Mol. Spectrosc. 57, 348 (1975); 10.1016/0022-2852(75) 90296-9
-
(1975)
J. Mol. Spectrosc.
, vol.57
, pp. 348
-
-
Decius, J.C.1
-
23
-
-
77953720409
-
-
10.1016/j.molstruc.2010.03.031
-
A. Milani, D. Galimberti, C. Castiglioni, and G. Zerbi, J. Mol. Struct. 976, 342 (2010). 10.1016/j.molstruc.2010.03.031
-
(2010)
J. Mol. Struct.
, vol.976
, pp. 342
-
-
Milani, A.1
Galimberti, D.2
Castiglioni, C.3
Zerbi, G.4
-
26
-
-
33748868386
-
-
edited by J. Chalmers and P. Griffiths (John Wiley and Sons, Chichester, UK), Vol.
-
M. Gussoni, C. Castiglioni, and G. Zerbi, Handbook of Vibrational Spectroscopy, edited by, J. Chalmers, and, P. Griffiths, (John Wiley and Sons, Chichester, UK, 2001), Vol. 3, p. 2040.
-
(2001)
Handbook of Vibrational Spectroscopy
, vol.3
, pp. 2040
-
-
Gussoni, M.1
Castiglioni, C.2
Zerbi, G.3
-
27
-
-
0002353026
-
-
10.1016/0166-1280(94)80138-X
-
N. B. Da Costa, A. J. A. Aquino, M. N. Ramos, C. Castiglioni, and G. Zerbi, J. Mol. Struct.:THEOCHEM 305, 19 (1994); 10.1016/0166-1280(94)80138-X
-
(1994)
J. Mol. Struct.:THEOCHEM
, vol.305
, pp. 19
-
-
Da Costa, N.B.1
Aquino, A.J.A.2
Ramos, M.N.3
Castiglioni, C.4
Zerbi, G.5
-
32
-
-
4243384089
-
-
10.1016/0584-8539(85)80118-5
-
M. Gussoni, C. Castiglioni, M. Miragoli, G. Lugli, and G. Zerbi, Spectrochim Acta: A-M 41, 371 (1985); 10.1016/0584-8539(85)80118-5
-
(1985)
Spectrochim Acta: A-M
, vol.41
, pp. 371
-
-
Gussoni, M.1
Castiglioni, C.2
Miragoli, M.3
Lugli, G.4
Zerbi, G.5
-
39
-
-
0035972649
-
-
10.1016/S0022-2860(00)00932-7
-
K. C. Lopes, F. S. Pereira, R. C. M. U. De Araujo, and M. N. Ramos, J. Mol. Struct. 565-566, 417 (2001); 10.1016/S0022-2860(00)00932-7
-
(2001)
J. Mol. Struct.
, vol.565-566
, pp. 417
-
-
Lopes, K.C.1
Pereira, F.S.2
De Araujo, R.C.M.U.3
Ramos, M.N.4
-
40
-
-
31144476262
-
-
10.1016/j.saa.2005.05.024
-
M. N. Ramos, K. C. Lopes, W. L. V. Silva, A. M. Tavares, F. A. Castriani, S. A. Do Monte, E. Ventura, and R. C. M. U. Araujo, Spectrochim. Acta A 63, 383 (2006). 10.1016/j.saa.2005.05.024
-
(2006)
Spectrochim. Acta A
, vol.63
, pp. 383
-
-
Ramos, M.N.1
Lopes, K.C.2
Silva, W.L.V.3
Tavares, A.M.4
Castriani, F.A.5
Do Monte, S.A.6
Ventura, E.7
Araujo, R.C.M.U.8
-
43
-
-
33846969958
-
-
10.1021/jp065422v
-
J. V. Da Silva, S. H. D. M. Faria, R. L. A. Haiduke, and R. E. Bruns, J. Phys. Chem. A 111, 515 (2007); 10.1021/jp065422v
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 515
-
-
Da Silva, J.V.1
Faria, S.H.D.M.2
Haiduke, R.L.A.3
Bruns, R.E.4
-
44
-
-
34548163589
-
-
10.1021/jp072763f
-
S. H. D. M. Faria, J. V. Da Silva, R. L. A. Haiduke, L. N. Vidal, P. A. M. Vazquez, and R. E. Bruns, J. Phys. Chem. A 111, 7870 (2007). 10.1021/jp072763f
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 7870
-
-
Faria, S.H.D.M.1
Da Silva, J.V.2
Haiduke, R.L.A.3
Vidal, L.N.4
Vazquez, P.A.M.5
Bruns, R.E.6
-
45
-
-
77956248552
-
-
10.1063/1.3456183
-
H. Torii, J. Chem. Phys. 133, 034504 (2010); 10.1063/1.3456183
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 034504
-
-
Torii, H.1
-
46
-
-
84855440255
-
-
10.1021/jz201540r
-
H. Torii, J. Phys. Chem. Lett. 3, 112 (2012). 10.1021/jz201540r
-
(2012)
J. Phys. Chem. Lett.
, vol.3
, pp. 112
-
-
Torii, H.1
-
47
-
-
77958500337
-
-
10.1021/jp106952q
-
H. Torii, J. Phys. Chem. B 114, 13403 (2010); 10.1021/jp106952q
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 13403
-
-
Torii, H.1
-
48
-
-
84874876737
-
-
10.1021/jp4013015
-
H. Torii, J. Phys. Chem. A 117, 2044 (2013). 10.1021/jp4013015
-
(2013)
J. Phys. Chem. A
, vol.117
, pp. 2044
-
-
Torii, H.1
-
50
-
-
15744380911
-
-
10.1021/j100169a030
-
U. Dinur, J. Phys. Chem. 95, 6201 (1991); 10.1021/j100169a030
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 6201
-
-
Dinur, U.1
-
51
-
-
0000109119
-
-
10.1016/0009-2614(90)87277-X
-
U. Dinur, Chem. Phys. Lett. 166, 211 (1990); 10.1016/0009-2614(90)87277-X
-
(1990)
Chem. Phys. Lett.
, vol.166
, pp. 211
-
-
Dinur, U.1
-
53
-
-
84903368965
-
-
GAUSSIAN 09, Revision A.1, Gaussian, Inc., Wallingford, CT.
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 09, Revision A.1, Gaussian, Inc., Wallingford, CT, 2009.
-
(2009)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
54
-
-
84890021933
-
-
10.1080/00268977000101561
-
S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970); 10.1080/00268977000101561
-
(1970)
Mol. Phys.
, vol.19
, pp. 553
-
-
Boys, S.F.1
Bernardi, F.2
-
58
-
-
77952105154
-
-
10.1016/j.molstruc.2010.01.073
-
P. Gilli and G. Gilli, J. Mol. Struct. 972, 2 (2010). 10.1016/j.molstruc.2010.01.073
-
(2010)
J. Mol. Struct.
, vol.972
, pp. 2
-
-
Gilli, P.1
Gilli, G.2
-
63
-
-
79958234264
-
-
10.1021/jp110561d
-
M. Yang, L. Szyc, K. Rottger, H. Fidder, E. T. J. Nibbering, T. Elsaesser, and F. Temps, J. Phys. Chem. B 115, 5484 (2011). 10.1021/jp110561d
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 5484
-
-
Yang, M.1
Szyc, L.2
Rottger, K.3
Fidder, H.4
Nibbering, E.T.J.5
Elsaesser, T.6
Temps, F.7
-
64
-
-
0000823662
-
-
10.1002/(SICI)1096-987X(19990415) 20:5<511::AID-JCC4>3.0.CO;2-8
-
R. Santamaria, E. Charro, A. Zacarias, and M. Castro, J. Comput. Chem. 20, 511 (1999). 10.1002/(SICI)1096-987X(19990415)20:5<511::AID-JCC4>3.0. CO;2-8
-
(1999)
J. Comput. Chem.
, vol.20
, pp. 511
-
-
Santamaria, R.1
Charro, E.2
Zacarias, A.3
Castro, M.4
|