-
1
-
-
0842349047
-
Evidence that proton can be the active catalyst in Lewis acid-mediated Hetero-Michael additions
-
Tobias C., Wabnitz T.C., Yu J.-Q., Spencer J.B. Evidence that proton can be the active catalyst in Lewis acid-mediated Hetero-Michael additions. Chem. Eur. J. 2004, 10:484-493.
-
(2004)
Chem. Eur. J.
, vol.10
, pp. 484-493
-
-
Tobias, C.1
Wabnitz, T.C.2
Yu, J.-Q.3
Spencer, J.B.4
-
2
-
-
0025259353
-
Chiral acrylates as substrates in Baylis-Hillman reaction
-
Basavaiah D., Gowriswari V.V.L., Sarma P.K.S., Rao D.P. Chiral acrylates as substrates in Baylis-Hillman reaction. Tetrahedron Lett. 1990, 31:1621-1624.
-
(1990)
Tetrahedron Lett.
, vol.31
, pp. 1621-1624
-
-
Basavaiah, D.1
Gowriswari, V.V.L.2
Sarma, P.K.S.3
Rao, D.P.4
-
3
-
-
0033592809
-
Superior amine catalysts for the Baylis-Hillman reaction: the use of DBU and its implications
-
Aggarwal V.K., Mereu A. Superior amine catalysts for the Baylis-Hillman reaction: the use of DBU and its implications. Chem. Commun. 1999, 2311-2312.
-
(1999)
Chem. Commun.
, pp. 2311-2312
-
-
Aggarwal, V.K.1
Mereu, A.2
-
4
-
-
0037019994
-
The Baylis-Hillman reaction: one-pot facile synthesis of 2, 4-functionalized 1, 4-pentadienes
-
Basavaiah D., Sharada D.S., Kumaragurubaran N., Reddy R.M. The Baylis-Hillman reaction: one-pot facile synthesis of 2, 4-functionalized 1, 4-pentadienes. J. Org. Chem. 2002, 67:7135-7137.
-
(2002)
J. Org. Chem.
, vol.67
, pp. 7135-7137
-
-
Basavaiah, D.1
Sharada, D.S.2
Kumaragurubaran, N.3
Reddy, R.M.4
-
5
-
-
37049106282
-
4-Dialkylaminopyridines: super acylation and alkylation catalysts
-
Scriven E.F.V. 4-Dialkylaminopyridines: super acylation and alkylation catalysts. Chem. Soc. Rev. 1983, 12:129-161.
-
(1983)
Chem. Soc. Rev.
, vol.12
, pp. 129-161
-
-
Scriven, E.F.V.1
-
6
-
-
34548068809
-
DABCO or DMAP - Why are they different in organocatalysis ?
-
Baidya M., Kobayashi S., Brotzel F., Schmidhammer U., Riedle E., Mayr H. DABCO or DMAP - Why are they different in organocatalysis ?. Angew. Chem. Int. Ed. 2007, 46:6176-6179.
-
(2007)
Angew. Chem. Int. Ed.
, vol.46
, pp. 6176-6179
-
-
Baidya, M.1
Kobayashi, S.2
Brotzel, F.3
Schmidhammer, U.4
Riedle, E.5
Mayr, H.6
-
9
-
-
0037138914
-
Density functional theory-based reactivity descriptors for dioxins
-
Arulmozhiraja S., Fujii T., Sato G. Density functional theory-based reactivity descriptors for dioxins. Molecular. Phys. 2002, 100:423-431.
-
(2002)
Molecular. Phys.
, vol.100
, pp. 423-431
-
-
Arulmozhiraja, S.1
Fujii, T.2
Sato, G.3
-
10
-
-
0035970860
-
Nucleophilic reactivity of the nitroso group. Fukui function DFT calculations for nitrosobenzene and 2-methyl-2-nitrosopropane
-
Pilepic V., Ursic S. Nucleophilic reactivity of the nitroso group. Fukui function DFT calculations for nitrosobenzene and 2-methyl-2-nitrosopropane. J. Mol. Struct.: THEOCHEM 2001, 583:41-49.
-
(2001)
J. Mol. Struct.: THEOCHEM
, vol.583
, pp. 41-49
-
-
Pilepic, V.1
Ursic, S.2
-
11
-
-
0007134716
-
Protonation in aniline and substituted anilines in gas phase: A study of local hard-soft acid-base concept
-
Roy R.K., DeProft F., Geerlings P. Protonation in aniline and substituted anilines in gas phase: A study of local hard-soft acid-base concept. J. Phys. Chem. A 1998, 102:7035-7040.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 7035-7040
-
-
Roy, R.K.1
DeProft, F.2
Geerlings, P.3
-
12
-
-
0034247802
-
Intermolecular reactivity trends using the concept of group softness
-
Krishnamurti S., Pal S. Intermolecular reactivity trends using the concept of group softness. J. Phys. Chem. A 2000, 104:7639-7645.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 7639-7645
-
-
Krishnamurti, S.1
Pal, S.2
-
13
-
-
0037742281
-
Philicity: A Unified Treatment of Chemical Reactivity and Selectivity
-
Chattaraj P.K., Maiti B., Sarkar U. Philicity: A Unified Treatment of Chemical Reactivity and Selectivity. J. Phys. Chem. A 2003, 107:4973-4975.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 4973-4975
-
-
Chattaraj, P.K.1
Maiti, B.2
Sarkar, U.3
-
14
-
-
33644502214
-
Careful scrutiny of the philicity concept
-
Roy D.R., Parthasarathi R., Padmanabhan J., Sarkar U., Subramanium V., Chattaraj P.K. Careful scrutiny of the philicity concept. J. Phys. Chem. A 2006, 110:1084-1093.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 1084-1093
-
-
Roy, D.R.1
Parthasarathi, R.2
Padmanabhan, J.3
Sarkar, U.4
Subramanium, V.5
Chattaraj, P.K.6
-
15
-
-
34948819765
-
A multiphilic descriptor for chemical reactivity and selectivity
-
Padmanabhan J., Parthasarathi R., Elango M., Subramanian V., Krishnamoorthy B.S., Gutierrez-Oliva S., Toro-Labbé A., Roy D.R., Chattaraj P.K. A multiphilic descriptor for chemical reactivity and selectivity. J. Phys. Chem. A 2007, 111:9130-9138.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 9130-9138
-
-
Padmanabhan, J.1
Parthasarathi, R.2
Elango, M.3
Subramanian, V.4
Krishnamoorthy, B.S.5
Gutierrez-Oliva, S.6
Toro-Labbé, A.7
Roy, D.R.8
Chattaraj, P.K.9
-
16
-
-
33746337936
-
On the definition of a nucleophilicity scale
-
Jaramillo P., Pérez P., Contreras R., Tiznado W., Fuentealba P. On the definition of a nucleophilicity scale. J. Phys. Chem. A 2006, 110:8181-8187.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 8181-8187
-
-
Jaramillo, P.1
Pérez, P.2
Contreras, R.3
Tiznado, W.4
Fuentealba, P.5
-
17
-
-
50349093158
-
A Further exploration of a nucleophilicity index based on the gas phase ionization potentials
-
Jaramillo P., Domingo L.R., Chamorro E., Perez P. A Further exploration of a nucleophilicity index based on the gas phase ionization potentials. J. Mol. Struct.: THEOCHEM 2008, 865:68-72.
-
(2008)
J. Mol. Struct.: THEOCHEM
, vol.865
, pp. 68-72
-
-
Jaramillo, P.1
Domingo, L.R.2
Chamorro, E.3
Perez, P.4
-
18
-
-
58349122051
-
A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions
-
Perez P., Domingo L.R., Doque-Norena M., Chamorro E. A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions. J. Mol. Struct.: THEOCHEM 2009, 895:86-91.
-
(2009)
J. Mol. Struct.: THEOCHEM
, vol.895
, pp. 86-91
-
-
Perez, P.1
Domingo, L.R.2
Doque-Norena, M.3
Chamorro, E.4
-
19
-
-
34047198619
-
Electrodonating and electroaccepting powers
-
Gazquez J.L., Cedillo A., Vela A. Electrodonating and electroaccepting powers. J. Phys. Chem. A 2007, 111:1966-1970.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 1966-1970
-
-
Gazquez, J.L.1
Cedillo, A.2
Vela, A.3
-
20
-
-
77955144553
-
Nucleophilicity and site selectivity of commonly used arenes and heteroarenes
-
Pratihar S., Roy S. Nucleophilicity and site selectivity of commonly used arenes and heteroarenes. J. Org. Chem. 2010, 75:4957-4963.
-
(2010)
J. Org. Chem.
, vol.75
, pp. 4957-4963
-
-
Pratihar, S.1
Roy, S.2
-
21
-
-
79959404081
-
Reactivity and selectivity of organotin reagents in allylation and arylation: Nucleophilicity parameter as a guide
-
Pratihar S., Roy S. Reactivity and selectivity of organotin reagents in allylation and arylation: Nucleophilicity parameter as a guide. Organometallics 2011, 30:3257-3269.
-
(2011)
Organometallics
, vol.30
, pp. 3257-3269
-
-
Pratihar, S.1
Roy, S.2
-
22
-
-
80053303867
-
The nucleophilicity N index in organic chemistry
-
doi:10.1039/C1OB05856H
-
Domingo L.R., Pérez P. The nucleophilicity N index in organic chemistry. Org. Biomol. Chem. 2011, doi:10.1039/C1OB05856H.
-
(2011)
Org. Biomol. Chem.
-
-
Domingo, L.R.1
Pérez, P.2
-
23
-
-
77549085838
-
A density functional theory study on π-nucleophilicity and electron transfer oxidation of silyl enol ethers and ketene silyl acetals
-
Deuri S., Phukan P. A density functional theory study on π-nucleophilicity and electron transfer oxidation of silyl enol ethers and ketene silyl acetals. J. Mol. Struct.: THEOCHEM 2010, 945:64-70.
-
(2010)
J. Mol. Struct.: THEOCHEM
, vol.945
, pp. 64-70
-
-
Deuri, S.1
Phukan, P.2
-
24
-
-
78049269575
-
Assessment of π-nucleophilicity of silyl enolates using philicity index
-
Deuri S., Phukan P. Assessment of π-nucleophilicity of silyl enolates using philicity index. Ind. J. Chem. 2010, 49A:1206-1211.
-
(2010)
Ind. J. Chem.
, vol.49 A
, pp. 1206-1211
-
-
Deuri, S.1
Phukan, P.2
-
25
-
-
0347291894
-
Absolute hardness: com Parrion parameter to absolute electronegativity
-
Parr R.G., Pearson R.G. Absolute hardness: com Parrion parameter to absolute electronegativity. J. Am. Chem. Soc. 1983, 105:7512-7516.
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 7512-7516
-
-
Parr, R.G.1
Pearson, R.G.2
-
27
-
-
33845375966
-
The use of global and local molecular parameters for the analysis of the gas-phase basicity of amines
-
Yang W., Mortier W.J. The use of global and local molecular parameters for the analysis of the gas-phase basicity of amines. J. Am. Chem. Soc. 1986, 108:5708-5711.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 5708-5711
-
-
Yang, W.1
Mortier, W.J.2
-
28
-
-
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
-
29
-
-
0345491105
-
Development of the Colle-Salvetti conelation energy formula into a functional of the electron density
-
Lee C., Yang W., Parr R.G. Development of the Colle-Salvetti conelation 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, R.G.3
-
30
-
-
84555221408
-
-
Gaussian 03, Revision E.01, Gaussian Inc., Wallingford, CT,
-
M. J. Frisch et al., Gaussian 03, Revision E.01, Gaussian Inc., Wallingford, CT, 2004.
-
(2004)
-
-
Frisch, M.J.1
-
31
-
-
0011083499
-
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
-
Reed A.E., Curtiss L.A., Weinhold F. Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint. Chem. Rev. 1988, 88:899-926.
-
(1988)
Chem. Rev.
, vol.88
, pp. 899-926
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
32
-
-
33749141140
-
Scales of nucleophilicity and electrophilicity: A system for ordering polar organic and organometallic reactions
-
Mayr H., Patz M. Scales of nucleophilicity and electrophilicity: A system for ordering polar organic and organometallic reactions. Angew. Chem. Int. Ed. 1994, 33:938-957.
-
(1994)
Angew. Chem. Int. Ed.
, vol.33
, pp. 938-957
-
-
Mayr, H.1
Patz, M.2
-
33
-
-
33845943843
-
Nucleophilicities and carbon basicities of pyridines
-
Brotzel F., Kempf B., Singer T., Zipse H., Mayr H. Nucleophilicities and carbon basicities of pyridines. Chem. Eur. J. 2007, 13:336-345.
-
(2007)
Chem. Eur. J.
, vol.13
, pp. 336-345
-
-
Brotzel, F.1
Kempf, B.2
Singer, T.3
Zipse, H.4
Mayr, H.5
-
34
-
-
0035120885
-
Reactivity dynamics in atom-field interactions: A quantum fluid density functional study
-
Chattaraj P.K., Maiti B. Reactivity dynamics in atom-field interactions: A quantum fluid density functional study. J. Phys. Chem. A 2001, 105:169-183.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 169-183
-
-
Chattaraj, P.K.1
Maiti, B.2
-
35
-
-
84555174965
-
-
(last update 17.02).
-
(last update 17.02.2011). http://www.cup.uni-muenchen.de/oc/mayr/DBintro.html.
-
(2011)
-
-
-
36
-
-
77950328906
-
Nucleophilicities and Lewis basicities of imidazoles benzimidazoles and benzotriazoles
-
Baidya M., Brotzel F., Mayr H. Nucleophilicities and Lewis basicities of imidazoles benzimidazoles and benzotriazoles. Org. Biomol. Chem. 2010, 8:1929-1935.
-
(2010)
Org. Biomol. Chem.
, vol.8
, pp. 1929-1935
-
-
Baidya, M.1
Brotzel, F.2
Mayr, H.3
-
37
-
-
41549104552
-
Nucleophilicities and carbon basicities of DBU and DBN
-
Baidya M., Mayr H. Nucleophilicities and carbon basicities of DBU and DBN. Chem. Commun. 2008, 1792-1794.
-
(2008)
Chem. Commun.
, pp. 1792-1794
-
-
Baidya, M.1
Mayr, H.2
|