-
1
-
-
0035803789
-
Chiral ferrocenylthiazolidines, new ligands for palladium complexes
-
Gonzalez A., Granell J.R., Lopez C. Chiral ferrocenylthiazolidines, new ligands for palladium complexes. J. Organomet. Chem. 2001, 637:116-125.
-
(2001)
J. Organomet. Chem.
, vol.637
, pp. 116-125
-
-
Gonzalez, A.1
Granell, J.R.2
Lopez, C.3
-
2
-
-
77955826131
-
Enantioselective organo-SOMO cascade cycloadditions: a rapid approach to molecular complexity from simple aldehydes and olefins
-
Jui N.T., Lee E.C.Y., MacMillan D.W.C. Enantioselective organo-SOMO cascade cycloadditions: a rapid approach to molecular complexity from simple aldehydes and olefins. J. Am. Chem. Soc. 2010, 132:10015-10017.
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 10015-10017
-
-
Jui, N.T.1
Lee, E.C.Y.2
MacMillan, D.W.C.3
-
3
-
-
79960647557
-
Access to high levels of molecular complexity by one-pot iridium/enamine asymmetric catalysis
-
Quintard A., Alexakis A., Mazet C. Access to high levels of molecular complexity by one-pot iridium/enamine asymmetric catalysis. Angew. Chem. 2011, 123:2402-2406.
-
(2011)
Angew. Chem.
, vol.123
, pp. 2402-2406
-
-
Quintard, A.1
Alexakis, A.2
Mazet, C.3
-
4
-
-
79951820592
-
Recent developments in the [5+2] cycloaddition
-
Pellissier H. Recent developments in the [5+2] cycloaddition. Adv. Synth. Catal. 2011, 353:189-218.
-
(2011)
Adv. Synth. Catal.
, vol.353
, pp. 189-218
-
-
Pellissier, H.1
-
7
-
-
29844455305
-
Gold(I)-catalyzed stereoselective olefin cyclopropanation
-
Johansson M.J., Gorin D.J., Staben S.T., Toste F.D. Gold(I)-catalyzed stereoselective olefin cyclopropanation. J. Am. Chem. Soc. 2005, 127:18002-18003.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 18002-18003
-
-
Johansson, M.J.1
Gorin, D.J.2
Staben, S.T.3
Toste, F.D.4
-
8
-
-
47749085153
-
Synthesis of azepines by a gold-catalyzed intermolecular [4+3]-annulation
-
Shapiro N.D., Toste F.D. Synthesis of azepines by a gold-catalyzed intermolecular [4+3]-annulation. J. Am. Chem. Soc. 2008, 130:9244-9245.
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 9244-9245
-
-
Shapiro, N.D.1
Toste, F.D.2
-
9
-
-
69049113944
-
Gold-catalyzed [3+3]-annulation of azomethine imines with propargyl esters
-
Shapiro N.D., Shi Y., Toste F.D. Gold-catalyzed [3+3]-annulation of azomethine imines with propargyl esters. J. Am. Chem. Soc. 2009, 131:11654-11655.
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 11654-11655
-
-
Shapiro, N.D.1
Shi, Y.2
Toste, F.D.3
-
10
-
-
77249120619
-
Pt-catalyzed tandem 1,2-acyloxy migration/intramolecular [3+2] cycloaddition of enynyl esters
-
Zheng H., Zheng J., Yu B., Chen Q., Wang X., He Y., Yang Z., She X. Pt-catalyzed tandem 1,2-acyloxy migration/intramolecular [3+2] cycloaddition of enynyl esters. J. Am. Chem. Soc. 2010, 132:1788-1789.
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 1788-1789
-
-
Zheng, H.1
Zheng, J.2
Yu, B.3
Chen, Q.4
Wang, X.5
He, Y.6
Yang, Z.7
She, X.8
-
11
-
-
77953310621
-
Cationic rhodium(I) complex-catalyzed [3+2] and [2+1] cycloadditions of propargyl esters with electron-deficient alkynes and alkenes
-
Shibata Y., Noguchi K., Tanaka K. Cationic rhodium(I) complex-catalyzed [3+2] and [2+1] cycloadditions of propargyl esters with electron-deficient alkynes and alkenes. J. Am. Chem. Soc. 2010, 132:7896-7898.
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 7896-7898
-
-
Shibata, Y.1
Noguchi, K.2
Tanaka, K.3
-
12
-
-
79851499669
-
Platinum(II)-catalyzed generation and [3+2] cycloaddition reaction of α,β-unsaturated carbene complex intermediates for the preparation of polycyclic compounds
-
Saito K., Sogou H., Suga T., Kusama H., Iwasawa N. Platinum(II)-catalyzed generation and [3+2] cycloaddition reaction of α,β-unsaturated carbene complex intermediates for the preparation of polycyclic compounds. J. Am. Chem. Soc. 2011, 133:689-691.
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 689-691
-
-
Saito, K.1
Sogou, H.2
Suga, T.3
Kusama, H.4
Iwasawa, N.5
-
13
-
-
84863094987
-
-
Gaussian 03, Revision A.1, Gaussian, Inc., Pittsburgh, PA
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, 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, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03, Revision A.1, Gaussian, Inc., Pittsburgh, PA, 2004.
-
(2004)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr., J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
14
-
-
0000189651
-
Density-functional thermochemistry. III. The role of exact exchange
-
Becke A.D. Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 1993, 98:5648-5652.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
15
-
-
0038596731
-
Results obtained with the correlation energy density functionals of Becke and Lee, Yang and Parr
-
Miehlich B., Savin A., Stoll H., Preuss H. Results obtained with the correlation energy density functionals of Becke and Lee, Yang and Parr. Chem. Phys. Lett. 1989, 157:200-206.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 200-206
-
-
Miehlich, B.1
Savin, A.2
Stoll, H.3
Preuss, H.4
-
16
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
Lee C., Yang W., Parr G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B 1988, 37:785-789.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, G.3
-
17
-
-
33751157732
-
Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields
-
Stephens P.J., Devlin F.J., Chabalowski C.F., Frisch M.J. Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields. J. Phys. Chem. 1994, 98:11623-11627.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623-11627
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
18
-
-
33745770836
-
Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg
-
Hay P.J., Wadt W.R. Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg. J. Chem. Phys. 1985, 82:270-283.
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 270-283
-
-
Hay, P.J.1
Wadt, W.R.2
-
19
-
-
27344448074
-
Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals
-
Hay P.J., Wadt W.R. Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals. J. Chem. Phys. 1985, 82:299-310.
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 299-310
-
-
Hay, P.J.1
Wadt, W.R.2
-
20
-
-
0006073669
-
Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi
-
Hay P.J., Wadt W.R. Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi. J. Chem. Phys. 1985, 82:284-298.
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 284-298
-
-
Hay, P.J.1
Wadt, W.R.2
-
21
-
-
0004465903
-
Formulation of the reaction coordinate
-
Fukui K. Formulation of the reaction coordinate. J. Phys. Chem. 1970, 74:4161-4163.
-
(1970)
J. Phys. Chem.
, vol.74
, pp. 4161-4163
-
-
Fukui, K.1
-
22
-
-
33751044609
-
The path of chemical reactions - the IRC approach
-
Fukui K. The path of chemical reactions - the IRC approach. Acc. Chem. Res. 1981, 14:363-368.
-
(1981)
Acc. Chem. Res.
, vol.14
, pp. 363-368
-
-
Fukui, K.1
-
23
-
-
84961985847
-
Quantum calculation of molecular energies and energy gradients in solution by a conductor solvent model
-
Barone V., Cossi M. Quantum calculation of molecular energies and energy gradients in solution by a conductor solvent model. J. Phys. Chem. A 1998, 102:1995-2001.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 1995-2001
-
-
Barone, V.1
Cossi, M.2
-
24
-
-
84962349001
-
Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model
-
Cossi M., Rega N., Scalmani G., Barone V. Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model. J. Comput. Chem. 2003, 24:669-681.
-
(2003)
J. Comput. Chem.
, vol.24
, pp. 669-681
-
-
Cossi, M.1
Rega, N.2
Scalmani, G.3
Barone, V.4
-
25
-
-
84962361532
-
Benchmarking the conductor-like polarizable continuum model (CPCM) for aqueous solvation free energies of neutral and ionic organic molecules
-
Takano Y., Houk K.N. Benchmarking the conductor-like polarizable continuum model (CPCM) for aqueous solvation free energies of neutral and ionic organic molecules. J. Chem. Theory Comput. 2005, 1:70-77.
-
(2005)
J. Chem. Theory Comput.
, vol.1
, pp. 70-77
-
-
Takano, Y.1
Houk, K.N.2
-
26
-
-
84863110279
-
-
NBO, Version 3.1.
-
E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO, Version 3.1.
-
-
-
Glendening, E.D.1
Reed, A.E.2
Carpenter, J.E.3
Weinhold, F.4
-
27
-
-
13644249121
-
Platinum-catalyzed intramolecular hydroamination of unactivated olefins with secondary alkylamines
-
Bender C.F., Widenhoefer R.A. Platinum-catalyzed intramolecular hydroamination of unactivated olefins with secondary alkylamines. J. Am. Chem. Soc. 2005, 127:1070-1171.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 1070-1171
-
-
Bender, C.F.1
Widenhoefer, R.A.2
-
28
-
-
80054772564
-
Platinum-catalyzed cycloisomerization of 1,4-enynes via 1,2-alkenyl rearrangement
-
Sato T., Onuma T., Nakamura I., Terada M. Platinum-catalyzed cycloisomerization of 1,4-enynes via 1,2-alkenyl rearrangement. Org. Lett. 2011, 13:4992-4995.
-
(2011)
Org. Lett.
, vol.13
, pp. 4992-4995
-
-
Sato, T.1
Onuma, T.2
Nakamura, I.3
Terada, M.4
-
29
-
-
78449264649
-
Mechanisms of the Au- and Pt-catalyzed intramolecular acetylenic schmidt reactions: a DFT study
-
Xia Y.Z., Huang G.P. Mechanisms of the Au- and Pt-catalyzed intramolecular acetylenic schmidt reactions: a DFT study. J. Org. Chem. 2010, 75:7842-7854.
-
(2010)
J. Org. Chem.
, vol.75
, pp. 7842-7854
-
-
Xia, Y.Z.1
Huang, G.P.2
-
30
-
-
70450190983
-
Platinum(II)-catalyzed intermolecular [3+2] cycloaddition of propadienyl silyl ethers and alkenyl ethers
-
Kusama H., Ebisawa M., Funami H., Iwasawa N. Platinum(II)-catalyzed intermolecular [3+2] cycloaddition of propadienyl silyl ethers and alkenyl ethers. J. Am. Chem. Soc. 2009, 131:16352-16353.
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 16352-16353
-
-
Kusama, H.1
Ebisawa, M.2
Funami, H.3
Iwasawa, N.4
-
31
-
-
78650167720
-
Theoretical investigation on the isomerization reaction of 4-phenyl-hexa-1,5-enyne catalyzed by homogeneous Au catalysts
-
Liu Y.X., Zhang D.J., Bi S.W. Theoretical investigation on the isomerization reaction of 4-phenyl-hexa-1,5-enyne catalyzed by homogeneous Au catalysts. J. Phys. Chem. A 2010, 114:12893-12899.
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 12893-12899
-
-
Liu, Y.X.1
Zhang, D.J.2
Bi, S.W.3
-
32
-
-
77952704572
-
Theoretical elucidation of Au(I)-catalyzed cycloisomerizations of cycloalkyl-substituted 1,5-enynes: 1,2-alkyl shift versus CH bond insertion products
-
Liu Y.X., Zhang D.J., Zhou J.H., Liu C.B. Theoretical elucidation of Au(I)-catalyzed cycloisomerizations of cycloalkyl-substituted 1,5-enynes: 1,2-alkyl shift versus CH bond insertion products. J. Phys. Chem. A 2010, 114:6164-6170.
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 6164-6170
-
-
Liu, Y.X.1
Zhang, D.J.2
Zhou, J.H.3
Liu, C.B.4
|