-
1
-
-
0035323783
-
Catalysis research of relevance to carbon management: progress, challenges, and opportunities
-
Arakawa H., Aresta M., Armor J.N., Barteau M.A., Beckman E.J., Bell A.T., Bercaw J.E., Creutz C., Dinjus E., Dixon D.A., Domen K., DuBois D.L., Eckert J., Fujita E., Gibson D.H., Goddard W.A., Goodman D.W., Keller J., Kubas G.J., Kung H.H., Lyons J.E., Manzer L.E., Marks T.J., Morokuma K., Nicholas K.M., Periana R., Que L., Rostrup-Nielson J., Sachtler W.M.H., Schmidt L.D., Sen A., Somorjai G.A., Stair P.C., Stults B.R., Tumas W. Catalysis research of relevance to carbon management: progress, challenges, and opportunities. Chem. Rev. 2001, 101:953-996.
-
(2001)
Chem. Rev.
, vol.101
, pp. 953-996
-
-
Arakawa, H.1
Aresta, M.2
Armor, J.N.3
Barteau, M.A.4
Beckman, E.J.5
Bell, A.T.6
Bercaw, J.E.7
Creutz, C.8
Dinjus, E.9
Dixon, D.A.10
Domen, K.11
DuBois, D.L.12
Eckert, J.13
Fujita, E.14
Gibson, D.H.15
Goddard, W.A.16
Goodman, D.W.17
Keller, J.18
Kubas, G.J.19
Kung, H.H.20
Lyons, J.E.21
Manzer, L.E.22
Marks, T.J.23
Morokuma, K.24
Nicholas, K.M.25
Periana, R.26
Que, L.27
Rostrup-Nielson, J.28
Sachtler, W.M.H.29
Schmidt, L.D.30
Sen, A.31
Somorjai, G.A.32
Stair, P.C.33
Stults, B.R.34
Tumas, W.35
more..
-
3
-
-
84860881935
-
Recent developments in carbon dioxide utilization for the production of organic chemicals
-
Omae I. Recent developments in carbon dioxide utilization for the production of organic chemicals. Coord. Chem. Rev. 2012, 256:1384-1405.
-
(2012)
Coord. Chem. Rev.
, vol.256
, pp. 1384-1405
-
-
Omae, I.1
-
4
-
-
33845278449
-
Reactions of carbon dioxide with carbon-carbon bond formation catalyzed by transition-metal complexes
-
Braunstein P., Matt D., Nobel D. Reactions of carbon dioxide with carbon-carbon bond formation catalyzed by transition-metal complexes. Chem. Rev. 1988, 88:747-764.
-
(1988)
Chem. Rev.
, vol.88
, pp. 747-764
-
-
Braunstein, P.1
Matt, D.2
Nobel, D.3
-
5
-
-
0030547180
-
Catalysts for the reactions of epoxides and carbon dioxide
-
Darensbourg D.J., Holtcamp M.W. Catalysts for the reactions of epoxides and carbon dioxide. Coord. Chem. Rev. 1996, 153:155-174.
-
(1996)
Coord. Chem. Rev.
, vol.153
, pp. 155-174
-
-
Darensbourg, D.J.1
Holtcamp, M.W.2
-
6
-
-
0030554252
-
The coordination chemistry of carbon dioxide and its relevance for catalysis: a critical survey
-
Leitner W. The coordination chemistry of carbon dioxide and its relevance for catalysis: a critical survey. Coord. Chem. Rev. 1996, 153:257-284.
-
(1996)
Coord. Chem. Rev.
, vol.153
, pp. 257-284
-
-
Leitner, W.1
-
7
-
-
0001409011
-
The organometallic chemistry of carbon dioxide
-
Gibson D.H. The organometallic chemistry of carbon dioxide. Chem. Rev. 1996, 96:2063-2095.
-
(1996)
Chem. Rev.
, vol.96
, pp. 2063-2095
-
-
Gibson, D.H.1
-
8
-
-
9644278326
-
Recent advances in the homogeneous hydrogenation of carbon dioxide
-
Jessop P.G., Joo F., Tai C.C. Recent advances in the homogeneous hydrogenation of carbon dioxide. Coord. Chem. Rev. 2004, 248:2425-2442.
-
(2004)
Coord. Chem. Rev.
, vol.248
, pp. 2425-2442
-
-
Jessop, P.G.1
Joo, F.2
Tai, C.C.3
-
9
-
-
77951774858
-
2-imine system: new pathway to vicinal diamines
-
2-imine system: new pathway to vicinal diamines. Organometallics 2010, 29:1997-2000.
-
(2010)
Organometallics
, vol.29
, pp. 1997-2000
-
-
Graët, A.1
Sinault, L.2
Fusaro, M.B.3
Vallet, A.L.4
Seu, C.5
Kilgore, J.L.6
Baum, M.M.7
-
10
-
-
79953168458
-
Efficient one-to-one coupling of easily available 1,3-dienes with carbon dioxide
-
Takaya J., Sasano K., Iwasawa N. Efficient one-to-one coupling of easily available 1,3-dienes with carbon dioxide. Org. Lett. 2011, 13:1698-1701.
-
(2011)
Org. Lett.
, vol.13
, pp. 1698-1701
-
-
Takaya, J.1
Sasano, K.2
Iwasawa, N.3
-
11
-
-
79959717398
-
2 into vinylaziridines: new route to 5-vinyloxazolidinones
-
2 into vinylaziridines: new route to 5-vinyloxazolidinones. Org. Lett. 2011, 13:3454-3457.
-
(2011)
Org. Lett.
, vol.13
, pp. 3454-3457
-
-
Fontana, F.1
Chen, C.C.2
Aggarwal, V.K.3
-
12
-
-
70349933131
-
Metal-catalyzed carboxylation of organometallic reagents with carbon dioxide
-
Correa A., Martin R. Metal-catalyzed carboxylation of organometallic reagents with carbon dioxide. Angew. Chem. Int. Ed. 2009, 48:6201-6204.
-
(2009)
Angew. Chem. Int. Ed.
, vol.48
, pp. 6201-6204
-
-
Correa, A.1
Martin, R.2
-
14
-
-
77951282500
-
Recent developments in carbon dioxide utilization under mild conditions
-
Riduan S.N., Zhang Y. Recent developments in carbon dioxide utilization under mild conditions. Dalton Trans. 2010, 39:3347-3357.
-
(2010)
Dalton Trans.
, vol.39
, pp. 3347-3357
-
-
Riduan, S.N.1
Zhang, Y.2
-
16
-
-
84855275168
-
2 and their application in the synthesis of a new muconic acid derivative
-
2 and their application in the synthesis of a new muconic acid derivative. Polyhedron 2012, 32:60-67.
-
(2012)
Polyhedron
, vol.32
, pp. 60-67
-
-
Langer, J.1
Görls, H.2
Walther, D.3
-
17
-
-
0348151127
-
Nickel(0)-induzierte C-C-verknüpfung zwischen alkenen und kohlendioxid
-
Hoberg H., Schaefer D. Nickel(0)-induzierte C-C-verknüpfung zwischen alkenen und kohlendioxid. J. Organomet. Chem. 1982, 236:C28-C30.
-
(1982)
J. Organomet. Chem.
, vol.236
-
-
Hoberg, H.1
Schaefer, D.2
-
18
-
-
84978052709
-
Oxanickelacyclopentene derivatives from nickel(0), carbon dioxide, and alkynes
-
Burkhart G., Hoberg H. Oxanickelacyclopentene derivatives from nickel(0), carbon dioxide, and alkynes. Angew. Chem., Int. Ed. Engl. 1982, 21:76.
-
(1982)
Angew. Chem., Int. Ed. Engl.
, vol.21
, pp. 76
-
-
Burkhart, G.1
Hoberg, H.2
-
20
-
-
0003421582
-
CC-verknüpfung von alkenen mit CO2 an nickel(0); Herstellung von zimtsäure aus styrol
-
Hoberg H., Peres Y., Milchereit A. CC-verknüpfung von alkenen mit CO2 an nickel(0); Herstellung von zimtsäure aus styrol. J. Organomet. Chem. 1986, 307:C38-C40.
-
(1986)
J. Organomet. Chem.
, vol.307
-
-
Hoberg, H.1
Peres, Y.2
Milchereit, A.3
-
21
-
-
0033612396
-
Nickel-mediated regio- and chemoselective carboxylation of alkynes in the presence of carbon dioxide
-
Saito S., Nakagawa S., Koizumi T., Hirayama K., Yamamoto Y. Nickel-mediated regio- and chemoselective carboxylation of alkynes in the presence of carbon dioxide. Org. Chem. 1999, 64:3975-3978.
-
(1999)
Org. Chem.
, vol.64
, pp. 3975-3978
-
-
Saito, S.1
Nakagawa, S.2
Koizumi, T.3
Hirayama, K.4
Yamamoto, Y.5
-
23
-
-
9944260840
-
Bidentate amidine ligands for nickel(0)-mediated coupling of carbon dioxide with unsaturated hydrocarbons
-
Aoki M., Kaneko M., Izumi S., Ukai K., Iwasawa N. Bidentate amidine ligands for nickel(0)-mediated coupling of carbon dioxide with unsaturated hydrocarbons. Chem. Commun. 2004, 2568-2569.
-
(2004)
Chem. Commun.
, pp. 2568-2569
-
-
Aoki, M.1
Kaneko, M.2
Izumi, S.3
Ukai, K.4
Iwasawa, N.5
-
24
-
-
21444441402
-
Nickel-mediated carboxylative cyclization of enynes
-
Takimoto M., Mizuno T., Sato Y., Mori M. Nickel-mediated carboxylative cyclization of enynes. Tetrahedron Lett. 2005, 46:5173-5176.
-
(2005)
Tetrahedron Lett.
, vol.46
, pp. 5173-5176
-
-
Takimoto, M.1
Mizuno, T.2
Sato, Y.3
Mori, M.4
-
25
-
-
33646057698
-
Solvent and ligand partition reaction pathways in nickel-mediated carboxylation of methylenecyclopropanes
-
Murakami M., Ishida N., Miura T. Solvent and ligand partition reaction pathways in nickel-mediated carboxylation of methylenecyclopropanes. Chem. Commun. 2006, 643-645.
-
(2006)
Chem. Commun.
, pp. 643-645
-
-
Murakami, M.1
Ishida, N.2
Miura, T.3
-
27
-
-
27344438768
-
On the formation of aliphatic polycarbonates from epoxides with chromium(iii) and aluminum(iii) metal-salen complexes
-
Luinstra G.A., Haas G.R., Molnar F., Bernhart V., Eberhardt R., Rieger B. On the formation of aliphatic polycarbonates from epoxides with chromium(iii) and aluminum(iii) metal-salen complexes. Chem. Eur. J. 2005, 11:6298-6314.
-
(2005)
Chem. Eur. J.
, vol.11
, pp. 6298-6314
-
-
Luinstra, G.A.1
Haas, G.R.2
Molnar, F.3
Bernhart, V.4
Eberhardt, R.5
Rieger, B.6
-
28
-
-
38349144034
-
Production of acrylic acid through nickel-mediated coupling of ethylene and carbon dioxides-a DFT study
-
Graham D.C., Mitchell C., Bruce M.I., Metha G.F., Bowie J.H., Buntine M.A. Production of acrylic acid through nickel-mediated coupling of ethylene and carbon dioxides-a DFT study. Organometallics 2007, 26:6784-6792.
-
(2007)
Organometallics
, vol.26
, pp. 6784-6792
-
-
Graham, D.C.1
Mitchell, C.2
Bruce, M.I.3
Metha, G.F.4
Bowie, J.H.5
Buntine, M.A.6
-
29
-
-
67149143406
-
A comprehensive theoretical study on the coupling reaction mechanism of propylene oxide with carbon dioxide catalyzed by copper(I) cyanomethyl
-
Guo C.-H., Wu H.-S., Zhang X.-M., Song J.-Y., Zhang X. A comprehensive theoretical study on the coupling reaction mechanism of propylene oxide with carbon dioxide catalyzed by copper(I) cyanomethyl. J. Phys. Chem. A 2009, 113:6710-6723.
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 6710-6723
-
-
Guo, C.-H.1
Wu, H.-S.2
Zhang, X.-M.3
Song, J.-Y.4
Zhang, X.5
-
32
-
-
79960757244
-
Differences in reactivity of epoxides in the copolymerisation with carbon dioxide by zinc-based catalysts: propylene oxide versus cyclohexene oxide
-
Lehenmeier M.W., Bruckmeier C., Klaus S., Dengler J.E., Deglmann P., Ott A.K., Rieger B. Differences in reactivity of epoxides in the copolymerisation with carbon dioxide by zinc-based catalysts: propylene oxide versus cyclohexene oxide. Chem. Eur. J. 2011, 17:8858-8869.
-
(2011)
Chem. Eur. J.
, vol.17
, pp. 8858-8869
-
-
Lehenmeier, M.W.1
Bruckmeier, C.2
Klaus, S.3
Dengler, J.E.4
Deglmann, P.5
Ott, A.K.6
Rieger, B.7
-
33
-
-
84865118919
-
Depolymerization of polycarbonates derived from carbon dioxide and epoxides to provide cyclic carbonates. A kinetic study
-
Darensbourg D.J., Wei S.H. Depolymerization of polycarbonates derived from carbon dioxide and epoxides to provide cyclic carbonates. A kinetic study. Macromolecules 2012, 45:5916-5922.
-
(2012)
Macromolecules
, vol.45
, pp. 5916-5922
-
-
Darensbourg, D.J.1
Wei, S.H.2
-
34
-
-
50549092942
-
Theoretical studies on coupling reactions of carbon dioxide with alkynes mediated by nickel(0) complexes
-
Li J., Jia G., Lin Z. Theoretical studies on coupling reactions of carbon dioxide with alkynes mediated by nickel(0) complexes. Organometallics 2008, 27:3892-3900.
-
(2008)
Organometallics
, vol.27
, pp. 3892-3900
-
-
Li, J.1
Jia, G.2
Lin, Z.3
-
35
-
-
0034623540
-
Palladium- and platinum-catalyzed silaboration of methylenecyclopropanes through selective proximal or distal CC bond cleavage
-
Suginome M., Matsuda T., Ito Y. Palladium- and platinum-catalyzed silaboration of methylenecyclopropanes through selective proximal or distal CC bond cleavage. J. Am. Chem. Soc. 2000, 122:11015-11016.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 11015-11016
-
-
Suginome, M.1
Matsuda, T.2
Ito, Y.3
-
36
-
-
84962357538
-
-
Gaussian 03, 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, 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 E.01, Gaussian Inc., Wallingford, CT, 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..
-
37
-
-
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
-
38
-
-
0038596731
-
Results ortained with the correlation energy density functionals of Becke and Lee, Yang and Parr
-
Miehlich B., Savin A., Stoll H., Preuss H. Results ortained 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
-
39
-
-
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
-
40
-
-
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. 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
-
41
-
-
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.
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 299
-
-
Hay, P.J.1
Wadt, W.R.2
-
42
-
-
0006073669
-
Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi
-
Wadt W.R., Hay P.J. 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
-
-
Wadt, W.R.1
Hay, P.J.2
-
43
-
-
33748545144
-
The influence of polarization functions on molecular orbital hydrogenation energies
-
Hariharan P.C., Pople J.A. The influence of polarization functions on molecular orbital hydrogenation energies. Theor. Chim. Acta. 1973, 28:213-222.
-
(1973)
Theor. Chim. Acta.
, vol.28
, pp. 213-222
-
-
Hariharan, P.C.1
Pople, J.A.2
-
44
-
-
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.
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 2154-2161
-
-
Gonzalez, C.1
Schlegel, H.B.2
-
45
-
-
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.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5523-5527
-
-
Gonzalez, C.1
Schlegel, H.B.2
-
46
-
-
84946893847
-
Electrostatic interaction of a solute with a coninuum. A direct utilization of ab initio molecular potentials for the prevision of solvent effects
-
Miertus S., Scrocco E., Tomasi J. Electrostatic interaction of a solute with a coninuum. A direct utilization of ab initio molecular potentials for the prevision of solvent effects. J. Chem. Phys. 1981, 55:117-129.
-
(1981)
J. Chem. Phys.
, vol.55
, pp. 117-129
-
-
Miertus, S.1
Scrocco, E.2
Tomasi, J.3
-
47
-
-
84962432699
-
Approximate evaluations of the electrostatic free energy and internal energy changes in solution processes
-
Miertus S., Tomasi J. Approximate evaluations of the electrostatic free energy and internal energy changes in solution processes. Chem. Phys. 1982, 65:239-245.
-
(1982)
Chem. Phys.
, vol.65
, pp. 239-245
-
-
Miertus, S.1
Tomasi, J.2
-
48
-
-
84961981991
-
A new definition of cavities for the computation of solvation free energies y the polarizable continuum model
-
Barone V., Cossi M., Tomasi J. A new definition of cavities for the computation of solvation free energies y the polarizable continuum model. J. Chem. Phys. 1997, 107:3210-3221.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 3210-3221
-
-
Barone, V.1
Cossi, M.2
Tomasi, J.3
-
49
-
-
77956250209
-
The catalytic role of N-heterocyclic carbene in a metal-free conversion of carbon dioxide into methanol: a computational mechanism study
-
Huang F., Lu G., Zhao L., Li H., Wang Z.-X. The catalytic role of N-heterocyclic carbene in a metal-free conversion of carbon dioxide into methanol: a computational mechanism study. J. Am. Chem. Soc. 2010, 132:12388-12396.
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 12388-12396
-
-
Huang, F.1
Lu, G.2
Zhao, L.3
Li, H.4
Wang, Z.-X.5
-
50
-
-
34848840660
-
Mechanistic twist of the [8+2] cycloadditions of dienylisobenzofurans and dimethyl acetylenedicarboxylate: stepwise [8+2] versus [4+2]/[1,5]-vinyl shift mechanisms revealed through a theoretical and experimental study
-
Chen Y., Ye S., Jiao L., Liang Y., Sinha-Mahapatra D.K., Herndon J.W., Yu Z.X. Mechanistic twist of the [8+2] cycloadditions of dienylisobenzofurans and dimethyl acetylenedicarboxylate: stepwise [8+2] versus [4+2]/[1,5]-vinyl shift mechanisms revealed through a theoretical and experimental study. J. Am. Chem. Soc. 2007, 129:10773-10784.
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 10773-10784
-
-
Chen, Y.1
Ye, S.2
Jiao, L.3
Liang, Y.4
Sinha-Mahapatra, D.K.5
Herndon, J.W.6
Yu, Z.X.7
-
51
-
-
0000997465
-
Calculations of activation entropies of chemical reactions in solution
-
Strajbl M., Sham Y.Y., Villà J., Chu Z.-T., Warshel A. Calculations of activation entropies of chemical reactions in solution. J. Phys. Chem. B 2000, 104:4578-4584.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 4578-4584
-
-
Strajbl, M.1
Sham, Y.Y.2
Villà, J.3
Chu, Z.-T.4
Warshel, A.5
-
52
-
-
0030887944
-
Inclusion of loss of translational and rotational freedom in theoretical estimates of free energies of binding. application to a complex of benzene and mutant T4 lysozyme
-
Hermans J., Wang L. Inclusion of loss of translational and rotational freedom in theoretical estimates of free energies of binding. application to a complex of benzene and mutant T4 lysozyme. J. Am. Chem. Soc. 1997, 119:2707-2714.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 2707-2714
-
-
Hermans, J.1
Wang, L.2
-
53
-
-
84985598529
-
A 1-oxa-2-nickela-5-cyclopentanone from ethene and carbon dioxide: preparation, structure, and reactivity
-
Hoberg H., Peres Y., Krüger C., Tsay Y.-H. A 1-oxa-2-nickela-5-cyclopentanone from ethene and carbon dioxide: preparation, structure, and reactivity. Angew. Chem., Int. Ed. Engl. 1987, 26:771-773.
-
(1987)
Angew. Chem., Int. Ed. Engl.
, vol.26
, pp. 771-773
-
-
Hoberg, H.1
Peres, Y.2
Krüger, C.3
Tsay, Y.-H.4
-
56
-
-
0030290112
-
Surface chemistry of carbon dioxide
-
Freund H.J., Roberts M.W. Surface chemistry of carbon dioxide. Surf. Sci. Rep. 1996, 25:225-273.
-
(1996)
Surf. Sci. Rep.
, vol.25
, pp. 225-273
-
-
Freund, H.J.1
Roberts, M.W.2
-
57
-
-
84962418149
-
Theoretical study on the mechanism of nickel(0)-mediated coupling between carbon dioxide and epoxyethane
-
Guo C.-H., Zhang X.-M., Jia J.-F., Wu H.-S. Theoretical study on the mechanism of nickel(0)-mediated coupling between carbon dioxide and epoxyethane. J. Mol. Struct. (THEOCHEM) 2009, 916:125-134.
-
(2009)
J. Mol. Struct. (THEOCHEM)
, vol.916
, pp. 125-134
-
-
Guo, C.-H.1
Zhang, X.-M.2
Jia, J.-F.3
Wu, H.-S.4
-
58
-
-
0002313438
-
Recognition of stereochemical paths by orbital interaction
-
Fukui K. Recognition of stereochemical paths by orbital interaction. Acc. Chem. Res. 1971, 4:57-64.
-
(1971)
Acc. Chem. Res.
, vol.4
, pp. 57-64
-
-
Fukui, K.1
-
59
-
-
84985502129
-
The role of frontier orbitals in chemical reactions (Noble lecture)
-
Fukui K. The role of frontier orbitals in chemical reactions (Noble lecture). Angew. Chem., Int. Ed. Engl. 1982, 21:801-809.
-
(1982)
Angew. Chem., Int. Ed. Engl.
, vol.21
, pp. 801-809
-
-
Fukui, K.1
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