-
2
-
-
78249271709
-
-
J.O. Bauer, J. Stiller, E. Marquéz-López, K. Strohfeldt, M. Christmann, and C. Strohmann Chem. Eur. J. 16 2010 12553 12558 In this study, DFT calculations were used to investigate the NBO charges and to calculate the electrostatic potential of a silylated pyrrolidine with an overcrowded substitution sphere.
-
(2010)
Chem. Eur. J.
, vol.16
, pp. 12553-12558
-
-
Bauer, J.O.1
Stiller, J.2
Marquéz-López, E.3
Strohfeldt, K.4
Christmann, M.5
Strohmann, C.6
-
3
-
-
80052159472
-
-
doi:10.1021/jo200991q
-
For a recent extension, see: Jentzsch, K. I.; Min, T.; Etcheson, J. I.; Fettinger, J. C.; Franz, A. K. J. Org. Chem. doi:10.1021/jo200991q.
-
J. Org. Chem
-
-
Jentzsch, K.I.1
Min, T.2
Etcheson, J.I.3
Fettinger, J.C.4
Franz, A.K.5
-
5
-
-
0032900270
-
-
J.B. Lambert, Y. Zhao, R.W. Emblidge, L.A. Salvador, X. Liu, J.-H. So, and E.C. Chelius Acc. Chem. Res. 32 1999 183 190
-
(1999)
Acc. Chem. Res.
, vol.32
, pp. 183-190
-
-
Lambert, J.B.1
Zhao, Y.2
Emblidge, R.W.3
Salvador, L.A.4
Liu, X.5
So, J.-H.6
Chelius, E.C.7
-
8
-
-
0038762733
-
-
Wavefunction Inc. 18401 Von Karman Ave., Suite 370, Irvine, CA 92612 (USA)
-
spartan '02, Wavefunction Inc. 18401 Von Karman Ave., Suite 370, Irvine, CA 92612 (USA).
-
Spartan '02
-
-
-
11
-
-
70450206724
-
-
Revision A.02 Gaussian, Inc., Wallingford, CT
-
Gaussian 09, Revision A.02, Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, Jr., J. A.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, N. J.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, Ö.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian, Inc., Wallingford, CT, 2009.
-
(2009)
Gaussian 09
, pp. 10
-
-
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 Jr., 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, N.J.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
Foresman, J.B.69
Ortiz, J.V.70
Cioslowski, J.71
Fox, D.J.72
more..
-
15
-
-
0011083499
-
-
NBO 3.1 as implemented in gaussian 09
-
NBO 3.1 as implemented in gaussian 09. For a review, see: A.E. Reed, L.A. Curtiss, and F. Weinhold Chem. Rev. 88 1988 899 926
-
(1988)
Chem. Rev.
, vol.88
, pp. 899-926
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
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