-
1
-
-
0001136801
-
-
edited by K. N. Rao and C. W. Mathews (Academic Press, New York), Vol
-
I. M. Mills, in Vibration-Rotation Structure in Asymmetric-and Symmetric-Top Molecules, edited by K. N. Rao and C. W. Mathews (Academic Press, New York, 1972), Vol. 1, p. 115.
-
(1972)
Vibration-Rotation Structure in Asymmetric-and Symmetric-Top Molecules
, vol.1
, pp. 115
-
-
Mills, I.M.1
-
3
-
-
70450206724
-
-
Revision E.01, Gaussian, Inc., Wallingford, CT
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, gaussian 09, Revision E.01, Gaussian, Inc., Wallingford, CT, 2009.
-
(2009)
Gaussian 09
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
Nakatsuji, H.11
Caricato, M.12
Li, X.13
Hratchian, H.P.14
Izmaylov, A.F.15
Bloino, J.16
Zheng, G.17
Sonnenberg, J.L.18
Hada, M.19
Ehara, M.20
Toyota, K.21
Fukuda, R.22
Hasegawa, J.23
Ishida, M.24
Nakajima, T.25
Honda, Y.26
Kitao, O.27
Nakai, H.28
Vreven, T.29
Montgomery, J.A.30
Peralta, J.E.31
Ogliaro, F.32
Bearpark, M.33
Heyd, J.J.34
Brothers, E.35
Kudin, K.N.36
Staroverov, V.N.37
Kobayashi, R.38
Normand, J.39
Raghavachari, K.40
Rendell, A.41
Burant, J.C.42
Iyengar, S.S.43
Tomasi, J.44
Cossi, M.45
Rega, N.46
Millam, J.M.47
Klene, M.48
Knox, J.E.49
Cross, J.B.50
Bakken, V.51
Adamo, C.52
Jaramillo, J.53
Gomperts, R.54
Stratmann, R.E.55
Yazyev, O.56
Austin, A.J.57
Cammi, R.58
Pomelli, C.59
Ochterski, J.W.60
Martin, R.L.61
Morokuma, K.62
Zakrzewski, V.G.63
Voth, G.A.64
Salvador, P.65
Dannenberg, J.J.66
Dapprich, S.67
Daniels, A.D.68
Farkas69
Foresman, J.B.70
Ortiz, J.V.71
Cioslowski, J.72
Fox, D.J.73
more..
-
4
-
-
84991737038
-
-
H.-J. Werner, P. J. Knowles, G. Knizia, F. R. Manby, M. Schütz, P. Celani, T. Korona, R. Lindh, A. Mitrushenkov, G. Rauhut, K. R. Shamasundar, T. B. Adler, R. D. Amos, A. Bernhardsson, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, E. Goll, C. Hampel, A. Hesselmann, G. Hetzer, T. Hrenar, G. Jansen, C. Köppl, Y. Liu, A. W. Lloyd, R. A. Mata, A. J. May, S. J. McNicholas, W. Meyer, M. E. Mura, A. Nicklass, D. P. O'Neill, P. Palmieri, K. Pflüger, R. Pitzer, M. Reiher, T. Shiozaki, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson, M. Wang, and A. Wolf, molpro, version 2010.1, a package of ab initio programs, 2010, see
-
H.-J. Werner, P. J. Knowles, G. Knizia, F. R. Manby, M. Schütz, P. Celani, T. Korona, R. Lindh, A. Mitrushenkov, G. Rauhut, K. R. Shamasundar, T. B. Adler, R. D. Amos, A. Bernhardsson, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, E. Goll, C. Hampel, A. Hesselmann, G. Hetzer, T. Hrenar, G. Jansen, C. Köppl, Y. Liu, A. W. Lloyd, R. A. Mata, A. J. May, S. J. McNicholas, W. Meyer, M. E. Mura, A. Nicklass, D. P. O'Neill, P. Palmieri, K. Pflüger, R. Pitzer, M. Reiher, T. Shiozaki, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson, M. Wang, and A. Wolf, molpro, version 2010.1, a package of ab initio programs, 2010, see http://www.molpro.net.
-
(2010)
-
-
-
11
-
-
84973864127
-
-
R. Garnier, M. Odunlami, V. Le Bris, D. Begue, I. Baraille, and O. Coulaud, J. Chem. Phys. 144, 204123 (2016). 10.1063/1.4952414
-
(2016)
J. Chem. Phys.
, vol.144
-
-
Garnier, R.1
Odunlami, M.2
Le Bris, V.3
Begue, D.4
Baraille, I.5
Coulaud, O.6
-
15
-
-
56049095799
-
-
J. M. Bowman, T. Carrington, Jr., and H.-D. Meyer, Mol. Phys. 106, 2145 (2008). 10.1080/00268970802258609
-
(2008)
Mol. Phys.
, vol.106
, pp. 2145
-
-
Bowman, J.M.1
Carrington, T.2
Meyer, H.-D.3
-
16
-
-
0000229685
-
Discrete-variable representations and their utilization
-
in (John Wiley & Sons, Inc.)
-
J. C. Light and T. Carrington, Jr., "Discrete-variable representations and their utilization," in Advances in Chemical Physics (John Wiley & Sons, Inc., 2000), pp. 263-310.
-
(2000)
Advances in Chemical Physics
, pp. 263-310
-
-
Light, J.C.1
Carrington, T.2
-
19
-
-
36449006010
-
-
M. J. Bramley, J. W. Tromp, T. Carrington, Jr., and G. C. Corey, J. Chem. Phys. 100, 6175 (1994). 10.1063/1.467273
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 6175
-
-
Bramley, M.J.1
Tromp, J.W.2
Carrington, T.3
Corey, G.C.4
-
20
-
-
84894609844
-
-
S. Dolgov, B. Khoromskij, I. Oseledets, and D. Savostyanov, Comput. Phys. Commun. 185, 1207 (2014). 10.1016/j.cpc.2013.12.017
-
(2014)
Comput. Phys. Commun.
, vol.185
, pp. 1207
-
-
Dolgov, S.1
Khoromskij, B.2
Oseledets, I.3
Savostyanov, D.4
-
26
-
-
0037044984
-
-
H.-G. Yu, J. Chem. Phys. 117, 8190 (2002). 10.1063/1.1511721
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 8190
-
-
Yu, H.-G.1
-
34
-
-
0000873293
-
-
U. Manthe, J. Chem. Phys. 105, 6989 (1996). 10.1063/1.471847
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 6989
-
-
Manthe, U.1
-
38
-
-
0036678361
-
-
H.-G. Yu, J. Chem. Phys. 117, 2030 (2002). 10.1063/1.1488575
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 2030
-
-
Yu, H.-G.1
-
44
-
-
58149151249
-
-
J. Sielk, H. F. von Horsten, F. Kruger, R. Schneider, and B. Hartke, Phys. Chem. Chem. Phys. 11, 463 (2009). 10.1039/B814315C
-
(2009)
Phys. Chem. Chem. Phys.
, vol.11
, pp. 463
-
-
Sielk, J.1
Von Horsten, H.F.2
Kruger, F.3
Schneider, R.4
Hartke, B.5
-
46
-
-
84971223749
-
-
S. Machnes, E. Assmat, H. R. Larsson, and D. J. Tannor, J. Phys. Chem. A 120, 3296 (2016). 10.1021/acs.jpca.5b12370
-
(2016)
J. Phys. Chem. A
, vol.120
, pp. 3296
-
-
Machnes, S.1
Assmat, E.2
Larsson, H.R.3
Tannor, D.J.4
-
49
-
-
84991698710
-
Efficient molecular quantum dynamics in coordinate and phase space using pruned bases
-
(to be published)
-
H. R. Larsson, B. Hartke, and D. J. Tannor, "Efficient molecular quantum dynamics in coordinate and phase space using pruned bases," J. Chem. Phys. (to be published).
-
J. Chem. Phys
-
-
Larsson, H.R.1
Hartke, B.2
Tannor, D.J.3
-
57
-
-
0348164422
-
-
C. A. R. Hoare, Commun. ACM 4, 321 (1961). 10.1145/366622.366644
-
(1961)
Commun. ACM
, vol.4
, pp. 321
-
-
Hoare, C.A.R.1
-
72
-
-
36049016396
-
-
D. Begue, N. Gohaud, C. Pouchan, P. Cassam-Chena, and J. Livin, J. Chem. Phys. 127, 164115 (2007). 10.1063/1.2795711
-
(2007)
J. Chem. Phys.
, vol.127
-
-
Begue, D.1
Gohaud, N.2
Pouchan, C.3
Cassam-Chena, P.4
Livin, J.5
-
74
-
-
84991736902
-
-
15,15,14,13 = - 1.06329. divided by degeneracy factors. The mode numbering is as in Ref. 72, which is not the same as the mode numbering in the suppelementary material of Ref. 72
-
15,15,14,13 = - 1.06329. divided by degeneracy factors. The mode numbering is as in Ref. 72, which is not the same as the mode numbering in the suppelementary material of Ref. 72.
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