-
1
-
-
33749088280
-
-
JCPSA6 0021-9606,. 10.1063/1.1740038
-
H. Sponer, J. Chem. Phys. JCPSA6 0021-9606 22, 234 (1954). 10.1063/1.1740038
-
(1954)
J. Chem. Phys.
, vol.22
, pp. 234
-
-
Sponer, H.1
-
2
-
-
33749108695
-
-
JCPSA6 0021-9606,. 10.1063/1.1740096
-
C. D. Cooper, J. Chem. Phys. JCPSA6 0021-9606 22, 503 (1954). 10.1063/1.1740096
-
(1954)
J. Chem. Phys.
, vol.22
, pp. 503
-
-
Cooper, C.D.1
-
4
-
-
5644301683
-
-
JCPSA6 0021-9606,. 10.1063/1.1840621
-
D. Phillips, J. Chem. Phys. JCPSA6 0021-9606 46, 4679 (1967). 10.1063/1.1840621
-
(1967)
J. Chem. Phys.
, vol.46
, pp. 4679
-
-
Phillips, D.1
-
5
-
-
33748936293
-
-
CJCHAG 0008-4042,. 10.1139/v72-083
-
R. Gilbert, P. Sauvageau, and C. Sandorfy, Can. J. Chem. CJCHAG 0008-4042 50, 543 (1972). 10.1139/v72-083
-
(1972)
Can. J. Chem.
, vol.50
, pp. 543
-
-
Gilbert, R.1
Sauvageau, P.2
Sandorfy, C.3
-
6
-
-
0042454663
-
-
CHPLBC 0009-2614,. 10.1016/0009-2614(72)80062-9
-
G. L. Loper and E. K. C. Lee, Chem. Phys. Lett. CHPLBC 0009-2614 13, 140 (1972). 10.1016/0009-2614(72)80062-9
-
(1972)
Chem. Phys. Lett.
, vol.13
, pp. 140
-
-
Loper, G.L.1
Lee, E.K.C.2
-
7
-
-
33749104822
-
-
JCFTEV 0956-5000,. 10.1039/f29747001660
-
J. Metcalfe, M. G. Rockley, and D. Philips, J. Chem. Soc., Faraday Trans. JCFTEV 0956-5000 70, 1660 (1974). 10.1039/f29747001660
-
(1974)
J. Chem. Soc., Faraday Trans.
, vol.70
, pp. 1660
-
-
Metcalfe, J.1
Rockley, M.G.2
Philips, D.3
-
9
-
-
36749118484
-
-
JCPSA6 0021-9606,. 10.1063/1.433675
-
C. B. Duke, K. L. Yip, G. P. Ceaser, A. W. Potts, and D. G. Streets, J. Chem. Phys. JCPSA6 0021-9606 66, 256 (1977). 10.1063/1.433675
-
(1977)
J. Chem. Phys.
, vol.66
, pp. 256
-
-
Duke, C.B.1
Yip, K.L.2
Ceaser, G.P.3
Potts, A.W.4
Streets, D.G.5
-
10
-
-
36749118635
-
-
JCPSA6 0021-9606,. 10.1063/1.437791
-
R. P. Frueholz, W. M. Flicker, O. A. Mosher, and A. Kuppermann, J. Chem. Phys. JCPSA6 0021-9606 70, 3057 (1979). 10.1063/1.437791
-
(1979)
J. Chem. Phys.
, vol.70
, pp. 3057
-
-
Frueholz, R.P.1
Flicker, W.M.2
Mosher, O.A.3
Kuppermann, A.4
-
11
-
-
0001254167
-
-
JPAMA4 0022-3700,. 10.1088/0022-3700/14/19/013
-
J. Philis, A. Bolovinos, G. Andritsopoulos, E. Pantos, and P. Tsekeris, J. Phys. B JPAMA4 0022-3700 14, 3621 (1981). 10.1088/0022-3700/14/19/013
-
(1981)
J. Phys. B
, vol.14
, pp. 3621
-
-
Philis, J.1
Bolovinos, A.2
Andritsopoulos, G.3
Pantos, E.4
Tsekeris, P.5
-
12
-
-
0348114956
-
-
CHPLBC 0009-2614,. 10.1016/0009-2614(82)83707-X
-
D. V. O'connor, M. Sumitani, J. M. Morris, and K. Yoshihara, Chem. Phys. Lett. CHPLBC 0009-2614 93, 350 (1982). 10.1016/0009-2614(82)83707-X
-
(1982)
Chem. Phys. Lett.
, vol.93
, pp. 350
-
-
O'Connor, D.V.1
Sumitani, M.2
Morris, J.M.3
Yoshihara, K.4
-
13
-
-
0031256428
-
Substituted benzenes as building blocks in near-edge X-ray absorption spectra
-
DOI 10.1016/S0301-0104(97)00177-8
-
O. Plashkevych, L. Yang, O. Vahtras, H. Ågren, and L. G. M. Pettersson, Chem. Phys. CMPHC2 0301-0104 222, 125 (1997). 10.1016/S0301-0104(97) 00177-8 (Pubitemid 127142249)
-
(1997)
Chemical Physics
, vol.222
, Issue.2-3
, pp. 125-138
-
-
Plashkevych, O.1
Yang, L.2
Vahtras, O.3
Aagren, H.4
Pettersson, L.G.M.5
-
14
-
-
10644234797
-
-1 at 25°C
-
DOI 10.1016/j.molstruc.2004.09.004, PII S0022286004006672
-
C. D. Keefe, J. Barrett, and L. L. Jessome, J. Mol. Struct. JMOSB4 0022-2860 734, 67 (2005). 10.1016/j.molstruc.2004.09.004 (Pubitemid 39647277)
-
(2005)
Journal of Molecular Structure
, vol.734
, Issue.1-3
, pp. 67-75
-
-
Keefe, C.D.1
Barrett, J.2
Jessome, L.L.3
-
15
-
-
20844457206
-
Photophysics of aromatic molecules with low-lying πσ states: Fluorinated benzenes
-
DOI 10.1063/1.1873752, 144312
-
M. Z. Zgierski, T. Fujiwara, and E. C. Lim, J. Chem. Phys. JCPSA6 0021-9606 122, 144312 (2005). 10.1063/1.1873752 (Pubitemid 40858312)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.14
, pp. 1-6
-
-
Zgierski, M.Z.1
Fujiwara, T.2
Lim, E.C.3
-
16
-
-
33749996009
-
Photodissociation dynamics of fluorobenzene (C6 H5 F) at 157 and 193 nm: Branching ratios and distributions of kinetic energy
-
DOI 10.1063/1.2353118
-
S. H. Lee, C. Y. Wu, S. K. Yang, and Y. P. Lee, J. Chem. Phys. JCPSA6 0021-9606 125, 144301 (2006). 10.1063/1.2353118 (Pubitemid 44570778)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.14
, pp. 144301
-
-
Lee, S.-H.1
Wu, C.-Y.2
Yang, S.-K.3
Lee, Y.-P.4
-
17
-
-
51749108616
-
-
JCPSA6 0021-9606,. 10.1063/1.2970092
-
I. Pugliesi, N. M. Tonge, and M. C. R. Cockett, J. Chem. Phys. JCPSA6 0021-9606 129, 104303 (2008). 10.1063/1.2970092
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 104303
-
-
Pugliesi, I.1
Tonge, N.M.2
Cockett, M.C.R.3
-
19
-
-
0001674005
-
-
JACSAT 0002-7863,. 10.1021/ja00760a008
-
C. Brundle, M. B. robin, and N. A. Kuebler, J. Am. Chem. Soc. JACSAT 0002-7863 94, 1466 (1972). 10.1021/ja00760a008
-
(1972)
J. Am. Chem. Soc.
, vol.94
, pp. 1466
-
-
Brundle, C.1
Robin, M.B.2
Kuebler, N.A.3
-
20
-
-
34548538870
-
-
CMPHC2 0301-0104,. 10.1016/j.chemphys.2007.03.026
-
E. Gindensperger, I. Bâldea, J. Franz, and H. Köppel, Chem. Phys. CMPHC2 0301-0104 338, 207 (2007). 10.1016/j.chemphys.2007.03.026
-
(2007)
Chem. Phys.
, vol.338
, pp. 207
-
-
Gindensperger, E.1
Bâldea, I.2
Franz, J.3
Köppel, H.4
-
21
-
-
50249139631
-
-
JCPSA6 0021-9606,. 10.1063/1.2958915
-
S. Faraji and H. Köppel, J. Chem. Phys. JCPSA6 0021-9606 129, 074310 (2008). 10.1063/1.2958915
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 074310
-
-
Faraji, S.1
Köppel, H.2
-
22
-
-
50249139631
-
-
JCPSA6 0021-9606,. 10.1063/1.2958918
-
S. Faraji, H. -D. Meyer, and H. Köppel, J. Chem. Phys. JCPSA6 0021-9606 129, 074311 (2008). 10.1063/1.2958918
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 074311
-
-
Faraji, S.1
Meyer, H.-D.2
Köppel, H.3
-
24
-
-
0001980554
-
-
ADCPAA 0065-2385,. 10.1002/9780470142813.ch2
-
H. Köppel, W. Domcke, and L. S. Cederbaum, Adv. Chem. Phys. ADCPAA 0065-2385 57, 59 (1984). 10.1002/9780470142813.ch2
-
(1984)
Adv. Chem. Phys.
, vol.57
, pp. 59
-
-
Köppel, H.1
Domcke, W.2
Cederbaum, L.S.3
-
25
-
-
0042290834
-
-
edited by W. Domcke, D. R. Yarkony, and H. Köppel (World Scientific, Singapore)
-
Conical Intersections: Electronic Structure, Dynamics and Spectroscopy, edited by, W. Domcke, D. R. Yarkony, and, H. Köppel, (World Scientific, Singapore, 2004).
-
(2004)
Conical Intersections: Electronic Structure, Dynamics and Spectroscopy
-
-
-
26
-
-
33947564300
-
-
JPCHAX 0022-3654, 10.1021/j150379a010;, Discuss. Faraday Soc. DFSOAW 0014-7664 35, 77 (1963) 10.1039/df9633500077;, Discuss. Faraday Soc. DFSOAW 0014-7664 53, 27 (1972) 10.1039/dc9725300027;, Acc. Chem. Res. ACHRE4 0001-4842 31, 511 (1998) 10.1021/ar970113w;, Chem. Soc. Rev. CSRVBR 0306-0012 25, 321 (1996). 10.1039/cs9962500321
-
E. Teller, J. Phys. Chem. JPCHAX 0022-3654 41, 109 (1937) 10.1021/j150379a010; G. Herzberg and H. C. Longuet-Higgins, Discuss. Faraday Soc. DFSOAW 0014-7664 35, 77 (1963) 10.1039/df9633500077; T. Carrington, Discuss. Faraday Soc. DFSOAW 0014-7664 53, 27 (1972) 10.1039/dc9725300027; D. R. Yarkony, Acc. Chem. Res. ACHRE4 0001-4842 31, 511 (1998) 10.1021/ar970113w; F. Bernardi, M. Olivucci, and M. A. Robb, Chem. Soc. Rev. CSRVBR 0306-0012 25, 321 (1996). 10.1039/cs9962500321
-
(1937)
J. Phys. Chem.
, vol.41
, pp. 109
-
-
Teller, E.1
Herzberg, G.2
Longuet-Higgins, H.C.3
Carrington, T.4
Yarkony, D.R.5
Bernardi, F.6
Olivucci, M.7
Robb, M.A.8
-
27
-
-
0142221508
-
-
edited by M. Baer and G. D. Billing (Wiley, Hoboken) 10.1002/0471433462
-
The Role of Degenerate States in Chemistry, Advances in Chemical Physics, edited by, M. Baer, and, G. D. Billing, (Wiley, Hoboken, 2002), Vol. 124. 10.1002/0471433462
-
(2002)
The Role of Degenerate States in Chemistry, Advances in Chemical Physics
, vol.124
-
-
-
28
-
-
84973654655
-
-
ANPYA2 0003-3804,. 10.1002/and19273892002
-
M. Born and R. Oppenheimer, Ann. Phys. ANPYA2 0003-3804 389, 457 (1927). 10.1002/andp.19273892002
-
(1927)
Ann. Phys.
, vol.389
, pp. 457
-
-
Born, M.1
Oppenheimer, R.2
-
31
-
-
36448999950
-
-
JCPSA6 0021-9606 10.1063/1.464746
-
J. F. Stanton and R. J. Bartlett, J. Chem. Phys. JCPSA6 0021-9606 98, 7029 (1993). 10.1063/1.464746
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 7029
-
-
Stanton, J.F.1
Bartlett, J.R.2
-
32
-
-
77956318083
-
-
MOLPRO, a package of ab initio programs designed by, H. -J. Werner, and, P. J. Knowles, version 2008.1, R. D. Amos, A. Bernhardsson, A. Berning
-
MOLPRO, a package of ab initio programs designed by, H. -J. Werner, and, P. J. Knowles, version 2008.1, R. D. Amos, A. Bernhardsson, A. Berning
-
-
-
-
33
-
-
0011439510
-
-
CHPLBC 0009-2614, 10.1016/0009-2614(77)85042-2
-
H. Nakatsuji and K. Hirao, Chem. Phys. Lett. CHPLBC 0009-2614 47, 569 (1977) 10.1016/0009-2614(77)85042-2
-
(1977)
Chem. Phys. Lett.
, vol.47
, pp. 569
-
-
Nakatsuji, H.1
Hirao, K.2
-
34
-
-
4243215242
-
-
CHPLBC 0009-2614 10.1016/0009-2614(79)85172-6
-
H. Nakatsuji, Chem. Phys. Lett. CHPLBC 0009-2614 67, 329 (1979) 10.1016/0009-2614(79)85172-6
-
(1979)
Chem. Phys. Lett.
, vol.67
, pp. 329
-
-
Nakatsuji, H.1
-
35
-
-
4243872973
-
-
CHPLBC 0009-2614 10.1016/0009-2614(79)85173-8
-
H. Nakatsuji, Chem. Phys. Lett. CHPLBC 0009-2614 67, 334 (1979). 10.1016/0009-2614(79)85173-8
-
(1979)
Chem. Phys. Lett.
, vol.67
, pp. 334
-
-
Nakatsuji, H.1
-
36
-
-
0000502689
-
-
PLRAAN 1050-2947, 10.1103/PhysRevA.28.1217
-
E. Dalgaard and H. J. Monkhorst, Phys. Rev. A PLRAAN 1050-2947 28, 1217 (1983) 10.1103/PhysRevA.28.1217
-
(1983)
Phys. Rev. A
, vol.28
, pp. 1217
-
-
Dalgaard, E.1
Monkhorst, H.J.2
Koch, H.3
Jørgensen, P.4
Koch, H.5
Jensen, H.J.A.6
Jørgensen, P.7
Helgaker, T.8
-
38
-
-
0001212624
-
-
JCPSA6 0021-9606 10.1063/1.458815
-
H. Koch, H. J. A. Jensen, P. Jørgensen, and T. Helgaker, J. Chem. Phys. JCPSA6 0021-9606 93, 3345 (1990). 10.1063/1.458815
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 3345
-
-
Koch, H.1
-
39
-
-
33746614482
-
-
JCPSA6 0021-9606,. 10.1063/1.456153
-
T. H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 90, 1007 (1989). 10.1063/1.456153
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007
-
-
Dunning Jr., T.H.1
-
40
-
-
0038626673
-
-
Revision B.05, Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision B.05, Gaussian, Inc., Pittsburgh, PA, 2003.
-
(2003)
GAUSSIAN 03
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
41
-
-
0032475420
-
C-H···F interactions in the crystal structures of some fluorobenzenes
-
DOI 10.1021/ja981198e
-
V. R. Thalladi, H. C. Weiss, D. Blässer, R. Boese, A. Nangia, and G. R. Desiraju, J. Am. Chem. Soc. JACSAT 0002-7863 120, 8702 (1998). 10.1021/ja981198e (Pubitemid 28442908)
-
(1998)
Journal of the American Chemical Society
, vol.120
, Issue.34
, pp. 8702-8710
-
-
Thalladi, V.R.1
Weiss, H.-C.2
Blaser, D.3
Boese, R.4
Nangia, A.5
Desiraju, G.R.6
-
42
-
-
77956316073
-
-
See supplementary material at E-JCPSA6-133-029028 for comparison between theretical and experimental structural parameters
-
See supplementary material at http://dx.doi.org/10.1063/1.3465555 E-JCPSA6-133-029028 for comparison between theretical and experimental structural parameters.
-
-
-
-
43
-
-
84944675147
-
-
MOPHAM 0026-8976,. 10.1080/00268979300103121
-
A. Bergner, M. Dolg, W. Kuechle, H. Stoll, and H. Preuss, Mol. Phys. MOPHAM 0026-8976 80, 1431 (1993). 10.1080/00268979300103121
-
(1993)
Mol. Phys.
, vol.80
, pp. 1431
-
-
Bergner, A.1
Dolg, M.2
Kuechle, W.3
Stoll, H.4
Preuss, H.5
-
44
-
-
36049060923
-
-
PHRVAO 0031-899X, 10.1103/PhysRev.164.131
-
W. Lichten, Phys. Rev. PHRVAO 0031-899X 164, 131 (1967) 10.1103/PhysRev.164.131
-
(1967)
Phys. Rev.
, vol.164
, pp. 131
-
-
Lichten, W.1
-
45
-
-
36049057679
-
-
PHRVAO 0031-899X 10.1103/PhysRev.179.111
-
F. T. Smith, Phys. Rev. PHRVAO 0031-899X 179, 111 (1969) 10.1103/PhysRev.179.111
-
(1969)
Phys. Rev.
, vol.179
, pp. 111
-
-
Smith, F.T.1
-
46
-
-
77956831986
-
-
AAMOA2 0065-2199 10.1016/S0065-2199(08)60361-9
-
T. F. O'Malley, Adv. At. Mol. Phys. AAMOA2 0065-2199 7, 223 (1971) 10.1016/S0065-2199(08)60361-9
-
(1971)
Adv. At. Mol. Phys.
, vol.7
, pp. 223
-
-
O'Malley, T.F.1
-
47
-
-
84858993709
-
-
ADCPAA 0065-2385 10.1002/9780470141427.ch4
-
T. Pacher, L. S. Cederbaum, and H. Köppel, Adv. Chem. Phys. ADCPAA 0065-2385 84, 293 (1993). 10.1002/9780470141427.ch4
-
(1993)
Adv. Chem. Phys.
, vol.84
, pp. 293
-
-
Pacher, T.1
-
49
-
-
42949163432
-
Ultrafast nonradiative dynamics in electronically excited hexafluorobenzene by femtosecond time-resolved mass spectrometry
-
DOI 10.1063/1.2907859
-
H. Studzinski, S. Zhang, Y. Wang, and F. Temps, J. Chem. Phys. JCPSA6 0021-9606 128, 164314 (2008). 10.1063/1.2907859 (Pubitemid 351620521)
-
(2008)
Journal of Chemical Physics
, vol.128
, Issue.16
, pp. 164314
-
-
Studzinski, H.1
Zhang, S.2
Wang, Y.3
Temps, F.4
-
50
-
-
84876901529
-
-
JPAMA4 0022-3700,. 10.1088/0953-4075/42/24/245201
-
D. M. P. Holland, D. A. Shaw, M. Stener, and P. Decleva, J. Phys. B JPAMA4 0022-3700 42, 245201 (2009). 10.1088/0953-4075/42/24/245201
-
(2009)
J. Phys. B
, vol.42
, pp. 245201
-
-
Holland, D.M.P.1
Shaw, D.A.2
Stener, M.3
Decleva, P.4
|