-
1
-
-
84863825854
-
Cationic Tricoordinate Boron Intermediates: Borenium Chemistry from the Organic Perspective
-
De Vries, T. S.; Prokofjevs, A.; Vedejs, E. Cationic Tricoordinate Boron Intermediates: Borenium Chemistry from the Organic Perspective Chem. Rev. 2012, 112, 4246-4282 10.1021/cr200133c
-
(2012)
Chem. Rev.
, vol.112
, pp. 4246-4282
-
-
De Vries, T.S.1
Prokofjevs, A.2
Vedejs, E.3
-
2
-
-
84877260239
-
Organoboron Acids and Their Derivatives as Catalysts for Organic Synthesis
-
Dimitrijević, E.; Taylor, M. S. Organoboron Acids and Their Derivatives as Catalysts for Organic Synthesis ACS Catal. 2013, 3, 945-962 10.1021/cs4000848
-
(2013)
ACS Catal.
, vol.3
, pp. 945-962
-
-
Dimitrijević, E.1
Taylor, M.S.2
-
3
-
-
84879986986
-
Main-Group Lewis Acids for C-F Bond Activation
-
Stahl, T.; Klare, H. F. T.; Oestreich, M. Main-Group Lewis Acids for C-F Bond Activation ACS Catal. 2013, 3, 1578-1587 10.1021/cs4003244
-
(2013)
ACS Catal.
, vol.3
, pp. 1578-1587
-
-
Stahl, T.1
Klare, H.F.T.2
Oestreich, M.3
-
4
-
-
77956472994
-
Elementary Reactions of Boron Atoms with Hydrocarbons-Toward the Formation of Organo-Boron Compounds
-
Balucani, N.; Zhang, F. T.; Kaiser, R. I. Elementary Reactions of Boron Atoms with Hydrocarbons-Toward the Formation of Organo-Boron Compounds Chem. Rev. 2010, 110, 5107-5127 10.1021/cr900404k
-
(2010)
Chem. Rev.
, vol.110
, pp. 5107-5127
-
-
Balucani, N.1
Zhang, F.T.2
Kaiser, R.I.3
-
5
-
-
77958034343
-
Boronic Acids and Esters in the Petasis-Borono Mannich Multicomponent Reaction
-
Candeias, N. R.; Montalbano, F.; Cal, P. M. S. D.; Gois, P. M. P. Boronic Acids and Esters in the Petasis-Borono Mannich Multicomponent Reaction Chem. Rev. 2010, 110, 6169-6193 10.1021/cr100108k
-
(2010)
Chem. Rev.
, vol.110
, pp. 6169-6193
-
-
Candeias, N.R.1
Montalbano, F.2
Cal, P.M.S.D.3
Gois, P.M.P.4
-
6
-
-
0342697384
-
Asymmetric Boron-Catalyzed Reactions
-
Deloux, L.; Srebnik, M. Asymmetric Boron-Catalyzed Reactions Chem. Rev. 1993, 93, 763-784 10.1021/cr00018a007
-
(1993)
Chem. Rev.
, vol.93
, pp. 763-784
-
-
Deloux, L.1
Srebnik, M.2
-
7
-
-
33746871796
-
Boron Reagents in Process Chemsitry: Excellent Tools for Selective Reductions
-
Burkhardt, E. R.; Matos, K. Boron Reagents in Process Chemsitry: Excellent Tools for Selective Reductions Chem. Rev. 2006, 106, 2617-2650 10.1021/cr0406918
-
(2006)
Chem. Rev.
, vol.106
, pp. 2617-2650
-
-
Burkhardt, E.R.1
Matos, K.2
-
8
-
-
23944515243
-
Borinium, Borenium, and Boronium Ions: Synthesis, Reactivity, and Applications
-
Piers, W. E.; Bourke, S. C.; Conroy, K. D. Borinium, Borenium, and Boronium Ions: Synthesis, Reactivity, and Applications Angew. Chem., Int. Ed. 2005, 44, 5016-5036 10.1002/anie.200500402
-
(2005)
Angew. Chem., Int. Ed.
, vol.44
, pp. 5016-5036
-
-
Piers, W.E.1
Bourke, S.C.2
Conroy, K.D.3
-
9
-
-
16844374787
-
Designer Acids: Combined Acid Catalysis for Asymmetric Synthesis
-
Yamamoto, H.; Futatsugi, K. Designer Acids: Combined Acid Catalysis for Asymmetric Synthesis Angew. Chem., Int. Ed. 2005, 44, 1924-1942 10.1002/anie.200460394
-
(2005)
Angew. Chem., Int. Ed.
, vol.44
, pp. 1924-1942
-
-
Yamamoto, H.1
Futatsugi, K.2
-
10
-
-
33845282886
-
Highly Enantioselective Borane Reduction of Ketones Catalyzed by Chiral Oxazaborolidines. Mechanism and Synthetic Implications
-
Corey, E. J.; Bakshi, R. K.; Shibata, S. Highly Enantioselective Borane Reduction of Ketones Catalyzed by Chiral Oxazaborolidines. Mechanism and Synthetic Implications J. Am. Chem. Soc. 1987, 109, 5551-5553 10.1021/ja00252a056
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 5551-5553
-
-
Corey, E.J.1
Bakshi, R.K.2
Shibata, S.3
-
11
-
-
33845282438
-
A Stable and Easily Prepared Catalyst for the Enantioselective Reduction of Ketones. Applications to Multistep Syntheses
-
Corey, E. J.; Bakshi, R. K.; Shibata, S.; Chen, C. P.; Singh, V. K. A Stable and Easily Prepared Catalyst for the Enantioselective Reduction of Ketones. Applications to Multistep Syntheses J. Am. Chem. Soc. 1987, 109, 7925-7926 10.1021/ja00259a075
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 7925-7926
-
-
Corey, E.J.1
Bakshi, R.K.2
Shibata, S.3
Chen, C.P.4
Singh, V.K.5
-
12
-
-
0035855979
-
An Asymmetric Synthesis of Both Enantiomers of 2,2,2-Trifluoro-1-furan-2-yl-ethylamine and 3,3,3-Trifluoroalanine from 2,2,2-Trifluoro-1-furan-2-yl-ethanone
-
Demir, A. S.; Sesenoglu, O.; Gercek-Arkin, Z. An Asymmetric Synthesis of Both Enantiomers of 2,2,2-Trifluoro-1-furan-2-yl-ethylamine and 3,3,3-Trifluoroalanine from 2,2,2-Trifluoro-1-furan-2-yl-ethanone Tetrahedron: Asymmetry 2001, 12, 2309-2313 10.1016/S0957-4166(01)00410-4
-
(2001)
Tetrahedron: Asymmetry
, vol.12
, pp. 2309-2313
-
-
Demir, A.S.1
Sesenoglu, O.2
Gercek-Arkin, Z.3
-
13
-
-
0037771437
-
Enantioselective Synthesis of Both Enantiomers of 2-Amino-2-(2-furyl)ethan-1-ol as a Flexible Building Block for the Preparation of Serine and Azasugars
-
Demir, A. S.; Sesenoglu, O.; Aksoy-Cam, H.; Kaya, H.; Aydogan, K. Enantioselective Synthesis of Both Enantiomers of 2-Amino-2-(2-furyl)ethan-1-ol as a Flexible Building Block for the Preparation of Serine and Azasugars Tetrahedron: Asymmetry 2003, 14, 1335-1340 10.1016/S0957-4166(03)00158-7
-
(2003)
Tetrahedron: Asymmetry
, vol.14
, pp. 1335-1340
-
-
Demir, A.S.1
Sesenoglu, O.2
Aksoy-Cam, H.3
Kaya, H.4
Aydogan, K.5
-
14
-
-
0346787842
-
Rationalising the Effect of Reducing Agent on the Oxazaborolidine-mediated Asymmetric Reduction of N-substituted Imines
-
Kirton, E. H. M.; Tughan, G.; Morris, R. E.; Field, R. A. Rationalising the Effect of Reducing Agent on the Oxazaborolidine-mediated Asymmetric Reduction of N-substituted Imines Tetrahedron Lett. 2004, 45, 853-855 10.1016/j.tetlet.2003.11.021
-
(2004)
Tetrahedron Lett.
, vol.45
, pp. 853-855
-
-
Kirton, E.H.M.1
Tughan, G.2
Morris, R.E.3
Field, R.A.4
-
15
-
-
13444302540
-
Unprecedented catalytic asymmetric reduction of N-H imines
-
Gosselin, F.; OShea, P. D.; Roy, S.; Reamer, R. A.; Chen, C. Y.; Volante, R. P. Unprecedented catalytic asymmetric reduction of N-H imines Org. Lett. 2005, 7, 355-358 10.1021/ol047431x
-
(2005)
Org. Lett.
, vol.7
, pp. 355-358
-
-
Gosselin, F.1
Oshea, P.D.2
Roy, S.3
Reamer, R.A.4
Chen, C.Y.5
Volante, R.P.6
-
16
-
-
0037190055
-
Broad-Spectrum Enantioselective Diels-Alder Catalysis by Chiral, Cationic Oxazaborolidines
-
Ryu, D. H.; Lee, T. W.; Corey, E. J. Broad-Spectrum Enantioselective Diels-Alder Catalysis by Chiral, Cationic Oxazaborolidines J. Am. Chem. Soc. 2002, 124, 9992-9993 10.1021/ja027468h
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 9992-9993
-
-
Ryu, D.H.1
Lee, T.W.2
Corey, E.J.3
-
17
-
-
0038514123
-
Triflimide Activation of a Chiral Oxazaborolidine Leads to a More General Catalytic System for Enantioselective Diels-Alder Addition
-
Ryu, D. H.; Corey, E. J. Triflimide Activation of a Chiral Oxazaborolidine Leads to a More General Catalytic System for Enantioselective Diels-Alder Addition J. Am. Chem. Soc. 2003, 125, 6388-6390 10.1021/ja035393r
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 6388-6390
-
-
Ryu, D.H.1
Corey, E.J.2
-
18
-
-
1842841091
-
Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules
-
Ryu, D. H.; Zhou, G.; Corey, E. J. Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules J. Am. Chem. Soc. 2004, 126, 4800-4802 10.1021/ja049323b
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 4800-4802
-
-
Ryu, D.H.1
Zhou, G.2
Corey, E.J.3
-
19
-
-
49649124668
-
Highly Enantioselective [4 + 2] Cycloaddition Reactions Catalyzed by a Chiral N-Methyl-oxazaborolidinium Cation
-
Canales, E.; Corey, E. J. Highly Enantioselective [4 + 2] Cycloaddition Reactions Catalyzed by a Chiral N-Methyl-oxazaborolidinium Cation Org. Lett. 2008, 10, 3271-3273 10.1021/ol8011502
-
(2008)
Org. Lett.
, vol.10
, pp. 3271-3273
-
-
Canales, E.1
Corey, E.J.2
-
20
-
-
34547752028
-
Regioselective and Asymmetric Diels-Alder Reaction of 1- and 2-Substituted Cyclopentadienes Catalyzed by a Brønsted Acid Activated Chiral Oxazaborolidine
-
Payette, J. N.; Yamamoto, H. Regioselective and Asymmetric Diels-Alder Reaction of 1- and 2-Substituted Cyclopentadienes Catalyzed by a Brønsted Acid Activated Chiral Oxazaborolidine J. Am. Chem. Soc. 2007, 129, 9536-9537 10.1021/ja0735958
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 9536-9537
-
-
Payette, J.N.1
Yamamoto, H.2
-
21
-
-
77952554748
-
Stereoselective Construction of Halogenated Quaternary Stereogenic Centers via Catalytic Asymmetric Diels-Alder Reaction
-
Shibatomi, K.; Futatsugi, K.; Kobayashi, F.; Iwasa, S.; Yamamoto, H. Stereoselective Construction of Halogenated Quaternary Stereogenic Centers via Catalytic Asymmetric Diels-Alder Reaction J. Am. Chem. Soc. 2010, 132, 5625-5627 10.1021/ja1018628
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 5625-5627
-
-
Shibatomi, K.1
Futatsugi, K.2
Kobayashi, F.3
Iwasa, S.4
Yamamoto, H.5
-
22
-
-
84962384555
-
Enantioselective Oxazaborolidinium-Catalyzed Diels-Alder Reactions without CH····O Hydrogen Bonding
-
Paddon-Row, M. N.; Kwan, L. C. H.; Willis, A. C.; Sherburn, M. S. Enantioselective Oxazaborolidinium-Catalyzed Diels-Alder Reactions without CH····O Hydrogen Bonding Angew. Chem., Int. Ed. 2008, 47, 7013-7017 10.1002/anie.200802002
-
(2008)
Angew. Chem., Int. Ed.
, vol.47
, pp. 7013-7017
-
-
Paddon-Row, M.N.1
Kwan, L.C.H.2
Willis, A.C.3
Sherburn, M.S.4
-
23
-
-
84875960852
-
Quantum Chemical Study of Diels-Alder Reactions Catalyzed by Lewis Acid Activated Oxazaborolidines
-
Sakata, K.; Fujimoto, H. Quantum Chemical Study of Diels-Alder Reactions Catalyzed by Lewis Acid Activated Oxazaborolidines J. Org. Chem. 2013, 78, 3095-3103 10.1021/jo400066h
-
(2013)
J. Org. Chem.
, vol.78
, pp. 3095-3103
-
-
Sakata, K.1
Fujimoto, H.2
-
24
-
-
79955477030
-
Enantioselective Organocatalytic Diels-Alder Reactions: A Density Functional Theory and Kinetic Isotope Effects Study
-
Omar, N. Y. M.; Rahman, N. A.; Zain, S. M. Enantioselective Organocatalytic Diels-Alder Reactions: A Density Functional Theory and Kinetic Isotope Effects Study J. Comput. Chem. 2011, 32, 1813-1823 10.1002/jcc.21763
-
(2011)
J. Comput. Chem.
, vol.32
, pp. 1813-1823
-
-
Omar, N.Y.M.1
Rahman, N.A.2
Zain, S.M.3
-
25
-
-
60849101360
-
Computational Evaluation of Enantioselective Diels-Alder Reactions Mediated by Coreys Cationic Oxazaborolidine Catalysts
-
Paddon-Row, M. N.; Anderson, C. D.; Houk, K. N. Computational Evaluation of Enantioselective Diels-Alder Reactions Mediated by Coreys Cationic Oxazaborolidine Catalysts J. Org. Chem. 2009, 74, 861-868 10.1021/jo802323p
-
(2009)
J. Org. Chem.
, vol.74
, pp. 861-868
-
-
Paddon-Row, M.N.1
Anderson, C.D.2
Houk, K.N.3
-
26
-
-
35548976302
-
Highly Enantioselective [2 + 2]-Cycloaddition Reactions Catalyzed by a Chiral Aluminum Bromide Complex
-
Canales, E.; Corey, E. J. Highly Enantioselective [2 + 2]-Cycloaddition Reactions Catalyzed by a Chiral Aluminum Bromide Complex J. Am. Chem. Soc. 2007, 129, 12686-12687 10.1021/ja0765262
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 12686-12687
-
-
Canales, E.1
Corey, E.J.2
-
27
-
-
24144485942
-
Short, Enantioselective Total Synthesis of Aflatoxin B-2 Using An Asymmetric [3 + 2]-Cycloaddition Step
-
Zhou, G.; Corey, E. J. Short, Enantioselective Total Synthesis of Aflatoxin B-2 Using An Asymmetric [3 + 2]-Cycloaddition Step J. Am. Chem. Soc. 2005, 127, 11958-11959 10.1021/ja054503m
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 11958-11959
-
-
Zhou, G.1
Corey, E.J.2
-
28
-
-
69949181507
-
Catalytic Enantioselective 1,3-Dipolar Cycloadditions of Alkyl Diazoacetates with alpha,beta-Disubstituted Acroleins
-
Gao, L.; Hwang, G. S.; Lee, M. Y.; Ryu, D. H. Catalytic Enantioselective 1,3-Dipolar Cycloadditions of Alkyl Diazoacetates with alpha,beta-Disubstituted Acroleins Chem. Commun. 2009, 5460-5462 10.1039/b910321j
-
(2009)
Chem. Commun.
, pp. 5460-5462
-
-
Gao, L.1
Hwang, G.S.2
Lee, M.Y.3
Ryu, D.H.4
-
29
-
-
0242543438
-
Useful Enantioselective Bicyclization Reactions Using an N-protonated Chiral Oxazaborolidine As Catalyst
-
Zhou, G.; Hu, Q. Y.; Corey, E. J. Useful Enantioselective Bicyclization Reactions Using an N-protonated Chiral Oxazaborolidine As Catalyst Org. Lett. 2003, 5, 3979-3982 10.1021/ol035542a
-
(2003)
Org. Lett.
, vol.5
, pp. 3979-3982
-
-
Zhou, G.1
Hu, Q.Y.2
Corey, E.J.3
-
30
-
-
3042770462
-
Highly Enantioselective Cyanosilylation of Aldehydes Catalyzed by a Chiral Oxazaborolidinium Ion
-
Ryu, D. H.; Corey, E. J. Highly Enantioselective Cyanosilylation of Aldehydes Catalyzed by a Chiral Oxazaborolidinium Ion J. Am. Chem. Soc. 2004, 126, 8106-8107 10.1021/ja0475959
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 8106-8107
-
-
Ryu, D.H.1
Corey, E.J.2
-
31
-
-
17644414916
-
Enantioselective Cyanosilylation of Ketones Catalyzed by a Chiral Oxazaborolidinium ion
-
Ryu, D. H.; Corey, E. J. Enantioselective Cyanosilylation of Ketones Catalyzed by a Chiral Oxazaborolidinium ion J. Am. Chem. Soc. 2005, 127, 5384-5387 10.1021/ja050543e
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 5384-5387
-
-
Ryu, D.H.1
Corey, E.J.2
-
32
-
-
33745636984
-
Enantioselective Synthesis of Bridged- or Fused-ring Bicyclic Ketones by a Catalytic Asymmetric Michael Addition Pathway
-
Liu, D.; Hong, S. W.; Corey, E. J. Enantioselective Synthesis of Bridged- or Fused-ring Bicyclic Ketones by a Catalytic Asymmetric Michael Addition Pathway J. Am. Chem. Soc. 2006, 128, 8160-8161 10.1021/ja063332y
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 8160-8161
-
-
Liu, D.1
Hong, S.W.2
Corey, E.J.3
-
33
-
-
0034731589
-
Scope and Limitations of Chiral B-[3,5-Bis(trifluoromethyl)phenyl]oxazaborolidine Catalyst for Use in the Mukaiyama Aldol Reaction
-
Ishihara, K.; Kondo, S.; Yamamoto, H. Scope and Limitations of Chiral B-[3,5-Bis(trifluoromethyl)phenyl]oxazaborolidine Catalyst for Use in the Mukaiyama Aldol Reaction J. Org. Chem. 2000, 65, 9125-9128 10.1021/jo001271v
-
(2000)
J. Org. Chem.
, vol.65
, pp. 9125-9128
-
-
Ishihara, K.1
Kondo, S.2
Yamamoto, H.3
-
34
-
-
78449281447
-
Highly Enantioselective Mukaiyama Aldol Reactions Catalyzed by a Chiral Oxazaborolidinium Ion: Total Synthesis of (-)-Inthomycin C
-
Senapati, B. K.; Gao, L.; Lee, S. I.; Hwang, G. S.; Ryu, D. H. Highly Enantioselective Mukaiyama Aldol Reactions Catalyzed by a Chiral Oxazaborolidinium Ion: Total Synthesis of (-)-Inthomycin C Org. Lett. 2010, 12, 5088-5091 10.1021/ol102234k
-
(2010)
Org. Lett.
, vol.12
, pp. 5088-5091
-
-
Senapati, B.K.1
Gao, L.2
Lee, S.I.3
Hwang, G.S.4
Ryu, D.H.5
-
35
-
-
41449087163
-
An Unconventional Approach to the Enantioselective Synthesis of Caryophylloids
-
Larionov, O. V.; Corey, E. J. An Unconventional Approach to the Enantioselective Synthesis of Caryophylloids J. Am. Chem. Soc. 2008, 130, 2954-2955 10.1021/ja8003705
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 2954-2955
-
-
Larionov, O.V.1
Corey, E.J.2
-
36
-
-
84886404538
-
Stereodivergent Resolution of Oxabicyclic Ketones: Preparation of Key Intermediates for Platensimycin and Other Natural Products
-
VanHeyst, M. D.; Oblak, E. Z.; Wright, D. L. Stereodivergent Resolution of Oxabicyclic Ketones: Preparation of Key Intermediates for Platensimycin and Other Natural Products J. Org. Chem. 2013, 78, 10555-10559 10.1021/jo4017502
-
(2013)
J. Org. Chem.
, vol.78
, pp. 10555-10559
-
-
VanHeyst, M.D.1
Oblak, E.Z.2
Wright, D.L.3
-
37
-
-
67149097939
-
Asymmetric Synthesis of Seven-Membered Carbocyclic Rings via a Sequential Oxyanionic 5-Exo-Dig Cyclization/Claisen Rearrangement Process. Total Synthesis of (-)-Frondosin B
-
Ovaska, T. V.; Sullivan, J. A.; Ovaska, S. I.; Winegrad, J. B.; Fair, J. D. Asymmetric Synthesis of Seven-Membered Carbocyclic Rings via a Sequential Oxyanionic 5-Exo-Dig Cyclization/Claisen Rearrangement Process. Total Synthesis of (-)-Frondosin B Org. Lett. 2009, 11, 2715-2718 10.1021/ol900967j
-
(2009)
Org. Lett.
, vol.11
, pp. 2715-2718
-
-
Ovaska, T.V.1
Sullivan, J.A.2
Ovaska, S.I.3
Winegrad, J.B.4
Fair, J.D.5
-
38
-
-
84877811039
-
Catalytic Enantioselective Carbon Insertion into the beta-Vinyl C-H Bond of Cyclic Enones
-
Lee, S. I.; Hwang, G. S.; Ryu, D. H. Catalytic Enantioselective Carbon Insertion into the beta-Vinyl C-H Bond of Cyclic Enones J. Am. Chem. Soc. 2013, 135, 7126-7129 10.1021/ja402873b
-
(2013)
J. Am. Chem. Soc.
, vol.135
, pp. 7126-7129
-
-
Lee, S.I.1
Hwang, G.S.2
Ryu, D.H.3
-
39
-
-
84864879515
-
Enantioselective Synthesis of alpha-Alkyl-beta-ketoesters: Asymmetric Roskamp Reaction Catalyzed by an Oxazaborolidinium Ion
-
Gao, L. Z.; Kang, B. C.; Hwang, G. S.; Ryu, D. H. Enantioselective Synthesis of alpha-Alkyl-beta-ketoesters: Asymmetric Roskamp Reaction Catalyzed by an Oxazaborolidinium Ion Angew. Chem., Int. Ed. 2012, 51, 8322-8325 10.1002/anie.201204350
-
(2012)
Angew. Chem., Int. Ed.
, vol.51
, pp. 8322-8325
-
-
Gao, L.Z.1
Kang, B.C.2
Hwang, G.S.3
Ryu, D.H.4
-
40
-
-
84875920960
-
Catalytic Carbon Insertion into the beta-Vinyl C-H Bond of Cyclic Enones with Alkyl Diazoacetates
-
Lee, S. I.; Kang, B. C.; Hwang, G. S.; Ryu, D. H. Catalytic Carbon Insertion into the beta-Vinyl C-H Bond of Cyclic Enones with Alkyl Diazoacetates Org. Lett. 2013, 15, 1428-1431 10.1021/ol4000026
-
(2013)
Org. Lett.
, vol.15
, pp. 1428-1431
-
-
Lee, S.I.1
Kang, B.C.2
Hwang, G.S.3
Ryu, D.H.4
-
41
-
-
84885149894
-
Catalytic Asymmetric Insertion of Diazoesters into Aryl-CHO Bonds: Highly Enantioselective Construction of Chiral All-Carbon Quaternary Centers
-
Gao, L.; Kang, B. C.; Ryu, D. H. Catalytic Asymmetric Insertion of Diazoesters into Aryl-CHO Bonds: Highly Enantioselective Construction of Chiral All-Carbon Quaternary Centers J. Am. Chem. Soc. 2013, 135, 14556-14559 10.1021/ja408196g
-
(2013)
J. Am. Chem. Soc.
, vol.135
, pp. 14556-14559
-
-
Gao, L.1
Kang, B.C.2
Ryu, D.H.3
-
42
-
-
84874895755
-
Elucidation of the Reaction Mechanisms and Diastereoselectivities of Phosphine-catalyzed [4 + 2] Annulations between Allenoates and Ketones or Aldimines
-
Qiao, Y.; Han, K. L. Elucidation of the Reaction Mechanisms and Diastereoselectivities of Phosphine-catalyzed [4 + 2] Annulations between Allenoates and Ketones or Aldimines Org. Biomol. Chem. 2012, 10, 7689-7706 10.1039/c2ob25965f
-
(2012)
Org. Biomol. Chem.
, vol.10
, pp. 7689-7706
-
-
Qiao, Y.1
Han, K.L.2
-
43
-
-
84893319506
-
Theoretical Investigations Toward the Tandem Reactions of N-aziridinyl Imine Compounds Forming Triquinanes via Trimethylenemethane Diyls: Mechanisms and Stereoselectivity
-
Qiao, Y.; Han, K. L. Theoretical Investigations Toward the Tandem Reactions of N-aziridinyl Imine Compounds Forming Triquinanes via Trimethylenemethane Diyls: Mechanisms and Stereoselectivity Org. Biomol. Chem. 2014, 12, 1220-1231 10.1039/C3OB42115E
-
(2014)
Org. Biomol. Chem.
, vol.12
, pp. 1220-1231
-
-
Qiao, Y.1
Han, K.L.2
-
44
-
-
84907141357
-
A Theoretical Study on the Mechanisms of the Reactions between 1,3-Dialkynes and Ammonia Derivatives for the Formation of Five-membered N-heterocycles
-
Wang, Y.; Wei, D. H.; Zhang, W. J.; Wang, Y. Y.; Zhu, Y. Y.; Jia, Y.; Tang, M. S. A Theoretical Study on the Mechanisms of the Reactions between 1,3-Dialkynes and Ammonia Derivatives for the Formation of Five-membered N-heterocycles Org. Biomol. Chem. 2014, 12, 7503-7514 10.1039/C4OB01015A
-
(2014)
Org. Biomol. Chem.
, vol.12
, pp. 7503-7514
-
-
Wang, Y.1
Wei, D.H.2
Zhang, W.J.3
Wang, Y.Y.4
Zhu, Y.Y.5
Jia, Y.6
Tang, M.S.7
-
45
-
-
84875185676
-
Catalytic C-H Activation/C-C Coupling Reaction: DFT Studies on theMechanism, Solvent Effect, and Role of Additive
-
Zhang, L.; Fang, D. C. Catalytic C-H Activation/C-C Coupling Reaction: DFT Studies on theMechanism, Solvent Effect, and Role of Additive J. Org. Chem. 2013, 78, 2405-2412 10.1021/jo302567s
-
(2013)
J. Org. Chem.
, vol.78
, pp. 2405-2412
-
-
Zhang, L.1
Fang, D.C.2
-
46
-
-
84962360262
-
DFT Studies on the Mechanism of Palladium(IV)-Mediated C-H Activation Reactions: Oxidant Effect and Regioselectivity
-
Xing, Y. M.; Zhang, L.; Fang, D. C. DFT Studies on the Mechanism of Palladium(IV)-Mediated C-H Activation Reactions: Oxidant Effect and Regioselectivity Organometallics 2015, 34, 770-777 10.1021/om501239n
-
(2015)
Organometallics
, vol.34
, pp. 770-777
-
-
Xing, Y.M.1
Zhang, L.2
Fang, D.C.3
-
47
-
-
84860375810
-
Simplification Through Complexity: The Role of Ni-complexes in Catalysed Diyne-cyclobutanone [4 + 2+2] Cycloadditions, A Comparative DFT Study
-
Tao, J. Y.; Fang, D. C.; Chass, G. A. Simplification Through Complexity: the Role of Ni-complexes in Catalysed Diyne-cyclobutanone [4 + 2+2] Cycloadditions, A Comparative DFT Study Phys. Chem. Chem. Phys. 2012, 14, 6937-6945 10.1039/c2cp40067g
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 6937-6945
-
-
Tao, J.Y.1
Fang, D.C.2
Chass, G.A.3
-
48
-
-
84929340062
-
Hydrolysis of Ketene Catalyzed by Formic Acid: Modification of Reaction Mechanism, Energetics, and Kinetics with Organic Acid Catalysis
-
Louie, M. K.; Francisco, J. S.; Verdicchio, M.; Klippenstein, S. J.; Sinha, A. Hydrolysis of Ketene Catalyzed by Formic Acid: Modification of Reaction Mechanism, Energetics, and Kinetics with Organic Acid Catalysis J. Phys. Chem. A 2015, 119, 4347-4357 10.1021/jp5076725
-
(2015)
J. Phys. Chem. A
, vol.119
, pp. 4347-4357
-
-
Louie, M.K.1
Francisco, J.S.2
Verdicchio, M.3
Klippenstein, S.J.4
Sinha, A.5
-
49
-
-
84929378637
-
Carboxylic Acid Catalyzed Hydration of Acetaldehyde
-
Rypkema, H. A.; Sinha, A.; Francisco, J. S. Carboxylic Acid Catalyzed Hydration of Acetaldehyde J. Phys. Chem. A 2015, 119, 4581-4588 10.1021/jp510704j
-
(2015)
J. Phys. Chem. A
, vol.119
, pp. 4581-4588
-
-
Rypkema, H.A.1
Sinha, A.2
Francisco, J.S.3
-
50
-
-
84940471061
-
Quantum Mechanical Study of Mechanism and Stereoselectivity on the N-heterocyclic Carbene Catalyzed [4 + 2] Annulation Reaction of Enals with Azodicarboxylates
-
Wang, Y.; Zheng, L. J.; Wei, D. H.; Tang, M. S. Quantum Mechanical Study of Mechanism and Stereoselectivity on the N-heterocyclic Carbene Catalyzed [4 + 2] Annulation Reaction of Enals with Azodicarboxylates Org. Chem. Front. 2015, 10.1039/C5QO00121H
-
(2015)
Org. Chem. Front.
-
-
Wang, Y.1
Zheng, L.J.2
Wei, D.H.3
Tang, M.S.4
-
51
-
-
84884247393
-
Fundamental Reaction Pathway and Free Energy Profile for Butyrylcholinesterase-Catalyzed Hydrolysis of Heroin
-
Qiao, Y.; Han, K. L.; Zhan, C. G. Fundamental Reaction Pathway and Free Energy Profile for Butyrylcholinesterase-Catalyzed Hydrolysis of Heroin Biochemistry 2013, 52, 6467-6479 10.1021/bi400709v
-
(2013)
Biochemistry
, vol.52
, pp. 6467-6479
-
-
Qiao, Y.1
Han, K.L.2
Zhan, C.G.3
-
52
-
-
84903363823
-
Reaction Pathways and free Energy Profiles for Cholinesterase-catalyzed Hydrolysis of 6-Monoacetylmorphine
-
Qiao, Y.; Han, K. L.; Zhan, C. G. Reaction Pathways and free Energy Profiles for Cholinesterase-catalyzed Hydrolysis of 6-Monoacetylmorphine Org. Biomol. Chem. 2014, 12, 2214-2227 10.1039/C3OB42464B
-
(2014)
Org. Biomol. Chem.
, vol.12
, pp. 2214-2227
-
-
Qiao, Y.1
Han, K.L.2
Zhan, C.G.3
-
53
-
-
84862779066
-
Recent Density Functional Theory Model Calculations of Drug Metabolism by Cytochrome P450
-
Li, D. M.; Wang, Y.; Han, K. L. Recent Density Functional Theory Model Calculations of Drug Metabolism by Cytochrome P450 Coord. Chem. Rev. 2012, 256, 1137-1150 10.1016/j.ccr.2012.01.016
-
(2012)
Coord. Chem. Rev.
, vol.256
, pp. 1137-1150
-
-
Li, D.M.1
Wang, Y.2
Han, K.L.3
-
54
-
-
84935842826
-
Fundamental Reaction Pathway and Free Energy Profile for Proteasome Inhibition by Syringolin A (SylA)
-
Wei, D. H.; Tang, M. S.; Zhan, C. G. Fundamental Reaction Pathway and Free Energy Profile for Proteasome Inhibition by Syringolin A (SylA) Org. Biomol. Chem. 2015, 13, 6857-6865 10.1039/C5OB00737B
-
(2015)
Org. Biomol. Chem.
, vol.13
, pp. 6857-6865
-
-
Wei, D.H.1
Tang, M.S.2
Zhan, C.G.3
-
55
-
-
84863489701
-
Fundamental Reaction Pathway and Free Energy Profile for Inhibition of Proteasome by Epoxomicin
-
Wei, D. H.; Lei, B. L.; Tang, M. S.; Zhan, C. G. Fundamental Reaction Pathway and Free Energy Profile for Inhibition of Proteasome by Epoxomicin J. Am. Chem. Soc. 2012, 134, 10436-10450 10.1021/ja3006463
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 10436-10450
-
-
Wei, D.H.1
Lei, B.L.2
Tang, M.S.3
Zhan, C.G.4
-
56
-
-
84961980457
-
DFT Calculations on Kinetic Data for Some [4 + 2] Reactions in Solution
-
Li, Y.; Fang, D. C. DFT Calculations on Kinetic Data for Some [4 + 2] Reactions in Solution Phys. Chem. Chem. Phys. 2014, 16, 15224-15230 10.1039/c4cp02068e
-
(2014)
Phys. Chem. Chem. Phys.
, vol.16
, pp. 15224-15230
-
-
Li, Y.1
Fang, D.C.2
-
57
-
-
84962463371
-
Between A Reactant Rock and A Solvent Hard Place -molecular Corrals Guide Aromatic Substitutions
-
Chen, Y. M.; Chass, G. A.; Fang, D. C. Between A Reactant Rock and A Solvent Hard Place -molecular Corrals Guide Aromatic Substitutions Phys. Chem. Chem. Phys. 2014, 16, 1078-1083 10.1039/C3CP54079K
-
(2014)
Phys. Chem. Chem. Phys.
, vol.16
, pp. 1078-1083
-
-
Chen, Y.M.1
Chass, G.A.2
Fang, D.C.3
-
58
-
-
84928492226
-
Mechanism and Kinetics of Low-Temperature Oxidation of a Biodiesel Surrogate: Methyl Propanoate Radicals with Oxygen Molecule
-
Le, X. T.; Mai, T. V. T.; Ratkiewicz, A.; Huynh, L. K. Mechanism and Kinetics of Low-Temperature Oxidation of a Biodiesel Surrogate: Methyl Propanoate Radicals with Oxygen Molecule J. Phys. Chem. A 2015, 119, 3689-3703 10.1021/jp5128282
-
(2015)
J. Phys. Chem. A
, vol.119
, pp. 3689-3703
-
-
Le, X.T.1
Mai, T.V.T.2
Ratkiewicz, A.3
Huynh, L.K.4
-
59
-
-
84928479060
-
Antiaromatic Characteristic Analysis of 1,4-Diazapentalene Derivatives: A Theoretical Study
-
Zheng, J.; Zhuang, X. H.; Qiu, L.; Xie, Y.; Wan, X. B.; Lan, Z. G. Antiaromatic Characteristic Analysis of 1,4-Diazapentalene Derivatives: A Theoretical Study J. Phys. Chem. A 2015, 119, 3762-3769 10.1021/acs.jpca.5b00163
-
(2015)
J. Phys. Chem. A
, vol.119
, pp. 3762-3769
-
-
Zheng, J.1
Zhuang, X.H.2
Qiu, L.3
Xie, Y.4
Wan, X.B.5
Lan, Z.G.6
-
60
-
-
84928494331
-
Stability of Hydrated Methylamine: Structural Characteristics and H2N···H-O Hydrogen Bonds
-
Lv, S. S.; Liu, Y. R.; Huang, T.; Feng, Y. J.; Jiang, S.; Huang, W. Stability of Hydrated Methylamine: Structural Characteristics and H2N···H-O Hydrogen Bonds J. Phys. Chem. A 2015, 119, 3770-3779 10.1021/acs.jpca.5b00616
-
(2015)
J. Phys. Chem. A
, vol.119
, pp. 3770-3779
-
-
Lv, S.S.1
Liu, Y.R.2
Huang, T.3
Feng, Y.J.4
Jiang, S.5
Huang, W.6
-
61
-
-
84928494332
-
Interplay of Halogen and π-π Charge-Transfer Bondings in Intermolecular Associates of Bromo- or Iododinitrobenzene with Tetramethyl-p-phenylenediamine
-
Rosokha, S. V.; Loboda, E. A. Interplay of Halogen and π-π Charge-Transfer Bondings in Intermolecular Associates of Bromo- or Iododinitrobenzene with Tetramethyl-p-phenylenediamine J. Phys. Chem. A 2015, 119, 3833-3842 10.1021/acs.jpca.5b01600
-
(2015)
J. Phys. Chem. A
, vol.119
, pp. 3833-3842
-
-
Rosokha, S.V.1
Loboda, E.A.2
-
62
-
-
0000189651
-
Density-Functional Thermochemistry 0.3. The Role of Exact Exchange
-
Becke, A. D. Density-Functional Thermochemistry 0.3. The Role of Exact Exchange J. Chem. Phys. 1993, 98, 5648-5652 10.1063/1.464913
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
63
-
-
0345491105
-
Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron-Density
-
Lee, C. T.; Yang, W. T.; Parr, R. G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron-Density Phys. Rev. B: Condens. Matter Mater. Phys. 1988, 37, 785-789 10.1103/PhysRevB.37.785
-
(1988)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.37
, pp. 785-789
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
64
-
-
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 10.1016/0009-2614(89)87234-3
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 200-206
-
-
Miehlich, B.1
Savin, A.2
Stoll, H.3
Preuss, H.4
-
65
-
-
79959190033
-
-
Gaussian, Inc. Wallingford, CT
-
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.; Gaussian 09, Revision C.01; Gaussian, Inc.: Wallingford, CT, 2010.
-
(2010)
Gaussian 09, Revision C.01
-
-
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
-
66
-
-
43249121800
-
A Theoretical Investigation of the Enantioselective Reduction of Prochiral Ketones Promoted by Chiral Diamines
-
Sun, L.; Tang, M. S.; Wang, M. H.; Wei, D. H.; Liu, L. L. A Theoretical Investigation of the Enantioselective Reduction of Prochiral Ketones Promoted by Chiral Diamines Tetrahedron: Asymmetry 2008, 19, 779-787 10.1016/j.tetasy.2008.02.020
-
(2008)
Tetrahedron: Asymmetry
, vol.19
, pp. 779-787
-
-
Sun, L.1
Tang, M.S.2
Wang, M.H.3
Wei, D.H.4
Liu, L.L.5
-
67
-
-
2442612661
-
Theoretical Investigation on the Oxazaborolidine-ketone Interaction in Small Model Systems
-
Alagona, G.; Ghio, C.; Tomasi, S. Theoretical Investigation on the Oxazaborolidine-ketone Interaction in Small Model Systems Theor. Chem. Acc. 2004, 111, 287-302 10.1007/s00214-003-0538-z
-
(2004)
Theor. Chem. Acc.
, vol.111
, pp. 287-302
-
-
Alagona, G.1
Ghio, C.2
Tomasi, S.3
-
68
-
-
80051719285
-
Quantum Mechanical Investigations of Organocatalysis: Mechanisms, Reactivities, and Selectivities
-
Cheong, P. H. Y.; Legault, C. Y.; Um, J. M.; Celebi-Olcum, N.; Houk, K. N. Quantum Mechanical Investigations of Organocatalysis: Mechanisms, Reactivities, and Selectivities Chem. Rev. 2011, 111, 5042-5137 10.1021/cr100212h
-
(2011)
Chem. Rev.
, vol.111
, pp. 5042-5137
-
-
Cheong, P.H.Y.1
Legault, C.Y.2
Um, J.M.3
Celebi-Olcum, N.4
Houk, K.N.5
-
69
-
-
84555173958
-
A Density Functional Theory Study of the Enantioselective Reduction of Prochiral Ketones Promoted by Chiral Spiroborate Esters
-
Wei, D. H.; Tang, M. S.; Zhang, W. J.; Zhao, J.; Sun, L.; Zhao, C. F.; Wang, H. M. A Density Functional Theory Study of the Enantioselective Reduction of Prochiral Ketones Promoted by Chiral Spiroborate Esters Int. J. Quantum Chem. 2011, 111, 596-605 10.1002/qua.22307
-
(2011)
Int. J. Quantum Chem.
, vol.111
, pp. 596-605
-
-
Wei, D.H.1
Tang, M.S.2
Zhang, W.J.3
Zhao, J.4
Sun, L.5
Zhao, C.F.6
Wang, H.M.7
-
70
-
-
65549100507
-
A DFT Study of the Enantioselective Reduction of Prochiral Ketones Promoted by Pinene-derived Amino Alcohols
-
Wei, D. H.; Tang, M. S.; Zhao, J.; Sun, L.; Zhang, W. J.; Zhao, C. F.; Zhang, S. R.; Wang, H. M. A DFT Study of the Enantioselective Reduction of Prochiral Ketones Promoted by Pinene-derived Amino Alcohols Tetrahedron: Asymmetry 2009, 20, 1020-1026 10.1016/j.tetasy.2009.02.061
-
(2009)
Tetrahedron: Asymmetry
, vol.20
, pp. 1020-1026
-
-
Wei, D.H.1
Tang, M.S.2
Zhao, J.3
Sun, L.4
Zhang, W.J.5
Zhao, C.F.6
Zhang, S.R.7
Wang, H.M.8
-
71
-
-
84902960266
-
DFT Study on the Mechanisms and Diastereoselectivities of Lewis Acid-Promoted Ketene-Alkene [2 + 2] Cycloadditions: What is the Role of Lewis Acid in the Ketene and C = X (X = O, CH2, and NH) [2 + 2] Cycloaddition Reactions?
-
Wang, Y.; Wei, D. H.; Li, Z. Y.; Zhu, Y. Y.; Tang, M. S. DFT Study on the Mechanisms and Diastereoselectivities of Lewis Acid-Promoted Ketene-Alkene [2 + 2] Cycloadditions: What is the Role of Lewis Acid in the Ketene and C = X (X = O, CH2, and NH) [2 + 2] Cycloaddition Reactions? J. Phys. Chem. A 2014, 118, 4288-4300 10.1021/jp500358m
-
(2014)
J. Phys. Chem. A
, vol.118
, pp. 4288-4300
-
-
Wang, Y.1
Wei, D.H.2
Li, Z.Y.3
Zhu, Y.Y.4
Tang, M.S.5
-
72
-
-
77953728885
-
A DFT Study on the Reaction Mechanisms of Ketene-ketone [2 + 2+2] Cycloaddition to Form 3-Aryglutaric Anhydrides under a Lewis Acid Catalysis: What is the Role of BF3?
-
Wei, D. H.; Zhang, W. J.; Zhu, Y. Y.; Tang, M. S. A DFT Study on the Reaction Mechanisms of Ketene-ketone [2 + 2+2] Cycloaddition to Form 3-Aryglutaric Anhydrides Under a Lewis Acid Catalysis: What is the Role of BF3? J. Mol. Catal. A: Chem. 2010, 326, 41-47 10.1016/j.molcata.2010.04.005
-
(2010)
J. Mol. Catal. A: Chem.
, vol.326
, pp. 41-47
-
-
Wei, D.H.1
Zhang, W.J.2
Zhu, Y.Y.3
Tang, M.S.4
-
73
-
-
84929461333
-
Origin of Enhanced Reactivity of a Microsolvated Nucleophile in Ion Pair SN2 Reactions: The Cases of Sodium p-Nitrophenoxide with Halomethanes in Acetone
-
Li, Q. G.; Xu, K.; Yi, R. Origin of Enhanced Reactivity of a Microsolvated Nucleophile in Ion Pair SN2 Reactions: The Cases of Sodium p-Nitrophenoxide with Halomethanes in Acetone J. Phys. Chem. A 2015, 119, 3878-3886 10.1021/acs.jpca.5b01045
-
(2015)
J. Phys. Chem. A
, vol.119
, pp. 3878-3886
-
-
Li, Q.G.1
Xu, K.2
Yi, R.3
-
74
-
-
84929452705
-
Theoretical Study of the Reactions of Ethanol with Aluminum and Aluminum Oxide
-
Sharipov, A. S.; Starik, A. M. Theoretical Study of the Reactions of Ethanol with Aluminum and Aluminum Oxide J. Phys. Chem. A 2015, 119, 3897-3904 10.1021/acs.jpca.5b01718
-
(2015)
J. Phys. Chem. A
, vol.119
, pp. 3897-3904
-
-
Sharipov, A.S.1
Starik, A.M.2
-
75
-
-
84930618176
-
Mechanisms and Stereoselectivities of Rh(I)-catalyzed Carbenoid Carbon Insertion Reaction of Benzocyclobutenol with Diazoester
-
Wang, Y. Y.; Wang, Y.; Zhang, W. J.; Zhu, Y. Y.; Wei, D. H.; Tang, M. S. Mechanisms and Stereoselectivities of Rh(I)-catalyzed Carbenoid Carbon Insertion Reaction of Benzocyclobutenol with Diazoester Org. Biomol. Chem. 2015, 13, 6587-6597 10.1039/C5OB00608B
-
(2015)
Org. Biomol. Chem.
, vol.13
, pp. 6587-6597
-
-
Wang, Y.Y.1
Wang, Y.2
Zhang, W.J.3
Zhu, Y.Y.4
Wei, D.H.5
Tang, M.S.6
-
76
-
-
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 10.1021/jp9716997
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 1995-2001
-
-
Barone, V.1
Cossi, M.2
-
77
-
-
84961979198
-
Continuum Solvation Models: A New Approach to the Problem of Solutes Charge Distribution and Cavity Boundaries
-
Mennucci, B.; Tomasi, J. Continuum Solvation Models: A New Approach to the Problem of Solutes Charge Distribution and Cavity Boundaries J. Chem. Phys. 1997, 106, 5151-5158 10.1063/1.473558
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 5151-5158
-
-
Mennucci, B.1
Tomasi, J.2
-
78
-
-
70349347859
-
-
Université de Sherbrooke: Sherbrooke, Quebec, Canada
-
Legault, C. Y. CYLView, 1.0b; Université de Sherbrooke: Sherbrooke, Quebec, Canada, 2009; http://www.cylview.org.
-
(2009)
CYLView, 1.0b
-
-
Legault, C.Y.1
-
79
-
-
36549095692
-
An Improved Algorithm for Reaction-Path Following
-
Gonzalez, C.; Schlegel, H. B. An Improved Algorithm for Reaction-Path Following J. Chem. Phys. 1989, 90, 2154-2161 10.1063/1.456010
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 2154-2161
-
-
Gonzalez, C.1
Schlegel, H.B.2
-
80
-
-
33750614386
-
Reaction-Path Following in Mass-Weighted Internal Coordinates
-
Gonzalez, C.; Schlegel, H. B. Reaction-Path Following in Mass-Weighted Internal Coordinates J. Phys. Chem. 1990, 94, 5523-5527 10.1021/j100377a021
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5523-5527
-
-
Gonzalez, C.1
Schlegel, H.B.2
-
81
-
-
36749116113
-
Natural Bond Orbital Analysis of Near-Hartree-Fock Water Dimmer
-
Reed, A. E.; Weinhold, F. J. Natural Bond Orbital Analysis of Near-Hartree-Fock Water Dimmer J. Chem. Phys. 1983, 78, 4066-4073 10.1063/1.445134
-
(1983)
J. Chem. Phys.
, vol.78
, pp. 4066-4073
-
-
Reed, A.E.1
Weinhold, F.J.2
-
82
-
-
33744614883
-
Natural Hybrid Orbitals
-
Foster, J. P.; Weinhold, F. J. Natural Hybrid Orbitals J. Am. Chem. Soc. 1980, 102, 7211-7218 10.1021/ja00544a007
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 7211-7218
-
-
Foster, J.P.1
Weinhold, F.J.2
-
84
-
-
33645849825
-
Ab Initio Study of the H + ClONO2 Reaction
-
Chen, X. F.; Zhang, X.; Han, K. L.; Varandas, A. J. C. Ab Initio Study of the H + ClONO2 Reaction Chem. Phys. Lett. 2006, 421, 453-459 10.1016/j.cplett.2005.12.103
-
(2006)
Chem. Phys. Lett.
, vol.421
, pp. 453-459
-
-
Chen, X.F.1
Zhang, X.2
Han, K.L.3
Varandas, A.J.C.4
-
85
-
-
75249107950
-
DFT Study of Intermolecular [4 + 2] versus [3 + 2] Cycloadditions in the Dimerization of 2,4,6-Trinitrotoluene (TNT): Regioselectivity and Stereoselectivity
-
Chen, X. F.; Hou, C. Y.; Han, K. L. DFT Study of Intermolecular [4 + 2] versus [3 + 2] Cycloadditions in the Dimerization of 2,4,6-Trinitrotoluene (TNT): Regioselectivity and Stereoselectivity J. Phys. Chem. A 2010, 114, 1169-1177 10.1021/jp909670w
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 1169-1177
-
-
Chen, X.F.1
Hou, C.Y.2
Han, K.L.3
-
86
-
-
79955927719
-
Catalytic Mechanism of Cytochrome P450 for 5′-Hydroxylation of Nicotine: Fundamental Reaction Pathways and Stereoselectivity
-
Li, D. M.; Huang, X. Q.; Han, K. L.; Zhan, C. G. Catalytic Mechanism of Cytochrome P450 for 5′-Hydroxylation of Nicotine: Fundamental Reaction Pathways and Stereoselectivity J. Am. Chem. Soc. 2011, 133, 7416-7427 10.1021/ja111657j
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 7416-7427
-
-
Li, D.M.1
Huang, X.Q.2
Han, K.L.3
Zhan, C.G.4
-
87
-
-
0347291894
-
Absolute Hardness-Companion Parameter to Absolute Electronegativity
-
Parr, R. G.; Pearson, R. G. Absolute Hardness-Companion Parameter to Absolute Electronegativity J. Am. Chem. Soc. 1983, 105, 7512-7516 10.1021/ja00364a005
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 7512-7516
-
-
Parr, R.G.1
Pearson, R.G.2
-
88
-
-
64249090422
-
Toward an Understanding of the Unexpected Regioselective Hetero-Diels-Alder Reactions of Asymmetric Tetrazines with Electron-Rich Ethylenes: A DFT Study
-
Domingo, L. R.; Picher, M. T.; Saez, J. A. Toward an Understanding of the Unexpected Regioselective Hetero-Diels-Alder Reactions of Asymmetric Tetrazines with Electron-Rich Ethylenes: A DFT Study J. Org. Chem. 2009, 74, 2726-2735 10.1021/jo802822u
-
(2009)
J. Org. Chem.
, vol.74
, pp. 2726-2735
-
-
Domingo, L.R.1
Picher, M.T.2
Saez, J.A.3
-
89
-
-
0037181996
-
Quantitative Characterization of the Global Electrophilicity Power of Common Diene/dienophile Pairs in Diels-Alder Reactions
-
Domingo, L. R.; Aurell, M. J.; Perez, P.; Contreras, R. Quantitative Characterization of the Global Electrophilicity Power of Common Diene/dienophile Pairs in Diels-Alder Reactions Tetrahedron 2002, 58, 4417-4423 10.1016/S0040-4020(02)00410-6
-
(2002)
Tetrahedron
, vol.58
, pp. 4417-4423
-
-
Domingo, L.R.1
Aurell, M.J.2
Perez, P.3
Contreras, R.4
-
90
-
-
36049056904
-
1-Particle Properties of an Inhomogeneous Interacting Electron Gas
-
Sham, L. J.; Kohn, W. 1-Particle Properties of an Inhomogeneous Interacting Electron Gas Phys. Rev. 1966, 145, 561-567 10.1103/PhysRev.145.561
-
(1966)
Phys. Rev.
, vol.145
, pp. 561-567
-
-
Sham, L.J.1
Kohn, W.2
-
91
-
-
36149025273
-
Quantum Density Oscillations in an Inhomogeneous Electron Gas
-
Kohn, W.; Sham, L. J. Quantum Density Oscillations in an Inhomogeneous Electron Gas Phys. Rev. 1965, 137, 1697-1705 10.1103/PhysRev.137.A1697
-
(1965)
Phys. Rev.
, vol.137
, pp. 1697-1705
-
-
Kohn, W.1
Sham, L.J.2
-
92
-
-
84872085429
-
Understanding the Local Reactivity in Polar Organic Reactions Through Electrophilic and Nucleophilic Parr Functions
-
Domingo, L. R.; Perez, P.; Saez, J. A. Understanding the Local Reactivity in Polar Organic Reactions Through Electrophilic and Nucleophilic Parr Functions RSC Adv. 2013, 3, 1486-1494 10.1039/C2RA22886F
-
(2013)
RSC Adv.
, vol.3
, pp. 1486-1494
-
-
Domingo, L.R.1
Perez, P.2
Saez, J.A.3
-
93
-
-
66749109267
-
An Analysis of the Regioselectivity of 1,3-Dipolar Cycloaddition Reactions of Benzonitrile N-Oxides Based on Global and Local Electrophilicity and Nucleophilicity Indices
-
Domingo, L. R.; Chamorro, E.; Perez, P. An Analysis of the Regioselectivity of 1,3-Dipolar Cycloaddition Reactions of Benzonitrile N-Oxides Based on Global and Local Electrophilicity and Nucleophilicity Indices Eur. J. Org. Chem. 2009, 2009, 3036-3044 10.1002/ejoc.200900213
-
(2009)
Eur. J. Org. Chem.
, vol.2009
, pp. 3036-3044
-
-
Domingo, L.R.1
Chamorro, E.2
Perez, P.3
-
94
-
-
45249085292
-
An Understanding of the Electrophilic/nucleophilic Behavior of Electro-deficient 2,3-Disubstituted 1,3-Butadienes in Polar Diels-Alder Reactions. A Density Functional Theory Study
-
Domingo, L. R.; Chamorro, E.; Perez, P. An Understanding of the Electrophilic/nucleophilic Behavior of Electro-deficient 2,3-Disubstituted 1,3-Butadienes in Polar Diels-Alder Reactions. A Density Functional Theory Study J. Phys. Chem. A 2008, 112, 4046-4053 10.1021/jp711704m
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 4046-4053
-
-
Domingo, L.R.1
Chamorro, E.2
Perez, P.3
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