-
1
-
-
84957374712
-
-
John Wiley, New York
-
S. Patai, Z. Rappaport,. The Chemistry of Quinonoid Compounds, vol. II, John Wiley, New York, 1988.
-
(1988)
The Chemistry of Quinonoid Compounds
, vol.2
-
-
Patai, S.1
Rappaport, Z.2
-
2
-
-
0026515757
-
Quinone chemistry and toxicity
-
T. J. Monks, R. P. Hanzlik, G. M. Cohen, D. Ross, D. G. Graham,. Quinone chemistry and toxicity. Toxicol. Appl. Pharmacol. 1992, 112, 2.
-
(1992)
Toxicol. Appl. Pharmacol.
, vol.112
, pp. 2
-
-
Monks, T.J.1
Hanzlik, R.P.2
Cohen, G.M.3
Ross, D.4
Graham, D.G.5
-
3
-
-
17044437348
-
Down-regulation of cyclooxygenase-2 and telomerase activity by beta-lapachone in human prostate carcinoma cells
-
J. H. Lee, J. H. Cheong, Y. M. Park, Y. H. Choi,. Down-regulation of cyclooxygenase-2 and telomerase activity by beta-lapachone in human prostate carcinoma cells. Pharmacolog. Res. 2005, 51, 553.
-
(2005)
Pharmacolog. Res.
, vol.51
, pp. 553
-
-
Lee, J.H.1
Cheong, J.H.2
Park, Y.M.3
Choi, Y.H.4
-
4
-
-
79951985478
-
Recent advances in 1,4-benzoquinone chemistry
-
I. Abraham, R. Joshi, P. Pardasani, R. T. Pardasan,. Recent advances in 1,4-benzoquinone chemistry. J. Braz. Chem. Soc. 2011, 22, 385.
-
(2011)
J. Braz. Chem. Soc.
, vol.22
, pp. 385
-
-
Abraham, I.1
Joshi, R.2
Pardasani, P.3
Pardasan, R.T.4
-
5
-
-
17544404164
-
Synthesis of xiloidone and lapachone analogs
-
A. V. Pinto, V. F. Ferreira, L. C. M. Coutada,. Synthesis of xiloidone and lapachone analogs. An. Acad. Bras. Ciênc. 1980, 52, 477.
-
(1980)
An. Acad. Bras. Ciênc.
, vol.52
, pp. 477
-
-
Pinto, A.V.1
Ferreira, V.F.2
Coutada, L.C.M.3
-
6
-
-
33645463415
-
Preparation of alpha-diazocarbonyl compounds from beta-lapachone derivatives and other 1,2-naphthoquinones: Use of the 2D NMR H-1,N-15 and H-1,C-13 HMBC techniques in assigning regiochemistry
-
V. F. Ferreira, A. Jorqueira, K. Z. Leal, H. R. X. Pimentel, P. R. Seidl, M. N. Da Silva, M. C. B. V. De Souza, A. V. Pinto, J. L. Wardell, S. M. S. V. Wardell,. Preparation of alpha-diazocarbonyl compounds from beta-lapachone derivatives and other 1,2-naphthoquinones: use of the 2D NMR H-1,N-15 and H-1,C-13 HMBC techniques in assigning regiochemistry. Magn. Reson. Chem. 2006, 44, 481.
-
(2006)
Magn. Reson. Chem.
, vol.44
, pp. 481
-
-
Ferreira, V.F.1
Jorqueira, A.2
Leal, K.Z.3
Pimentel, H.R.X.4
Seidl, P.R.5
Da Silva, M.N.6
De Souza, M.C.B.V.7
Pinto, A.V.8
Wardell, J.L.9
Wardell, S.M.S.V.10
-
7
-
-
60349085566
-
Ex vivo activities of beta-lapachone and alpha-lapachone on macrophages: A quantitative pharmacological analysis based on amperometric monitoring of oxidative bursts by single cells
-
D. C. M. Ferreira, I. Tapsoba, S. Arbault, Y. Bouret, M. S. A. Moreira, A. V. Pinto, M. O. F. Goulart, C. Amatore,. Ex vivo activities of beta-lapachone and alpha-lapachone on macrophages: a quantitative pharmacological analysis based on amperometric monitoring of oxidative bursts by single cells. ChemBioChem. 2009, 10, 528.
-
(2009)
ChemBioChem.
, vol.10
, pp. 528
-
-
Ferreira, D.C.M.1
Tapsoba, I.2
Arbault, S.3
Bouret, Y.4
Moreira, M.S.A.5
Pinto, A.V.6
Goulart, M.O.F.7
Amatore, C.8
-
8
-
-
84859771654
-
Growth inhibitory effects of 3 '-nitro-3-phenylamino nor-beta-lapachone against HL-60: A redox-dependent mechanism
-
A. J. Araujo, A. A. de Souza, E. N. Da Silva, J. D. B. Marinho, M. A. B. F. De Moura, D. D. Rocha, M. C. Vasconcellos, C. O. Costa, C. Pessoa, M. O. De Moraes, V. F. Ferreira, F. C. De Abreu, A. V. Pinto, R. C. Montenegro, L. V. Costa-Lotufo, M. O. Fu, Growth inhibitory effects of 3 '-nitro-3-phenylamino nor-beta-lapachone against HL-60: a redox-dependent mechanism. Toxicol. Vitro 2012, 26, 585.
-
(2012)
Toxicol. Vitro
, vol.26
, pp. 585
-
-
Araujo, A.J.1
De Souza, A.A.2
Da Silva, E.N.3
Marinho, J.D.B.4
De Moura, M.A.B.F.5
Rocha, D.D.6
Vasconcellos, M.C.7
Costa, C.O.8
Pessoa, C.9
De Moraes, M.O.10
Ferreira, V.F.11
De Abreu, F.C.12
Pinto, A.V.13
Montenegro, R.C.14
Costa-Lotufo, L.V.15
Fu, M.O.16
-
9
-
-
44849123893
-
Molluscicidal activity of 2-hydroxy-[1,4]-naphthoquinone and derivatives
-
C. A. Camara, T. M. S. Silva, T. G. Da-Silva, R. M. Martins, T. P. Barbosa, A. C. Pinto, M. D. Vargas,. Molluscicidal activity of 2-hydroxy-[1,4]-naphthoquinone and derivatives. An. Acad. Bras. Ciênc. 2008, 80, 329.
-
(2008)
An. Acad. Bras. Ciênc.
, vol.80
, pp. 329
-
-
Camara, C.A.1
Silva, T.M.S.2
Da-Silva, T.G.3
Martins, R.M.4
Barbosa, T.P.5
Pinto, A.C.6
Vargas, M.D.7
-
10
-
-
0034547932
-
In vitro leishmanicidal activity of monomeric and dimeric naphthoquinones
-
O. Kayser, A. F. Kiderlen, H. Laatsch, S. L. Croft,. In vitro leishmanicidal activity of monomeric and dimeric naphthoquinones. Acta Tropica 2000, 77, 307.
-
(2000)
Acta Tropica
, vol.77
, pp. 307
-
-
Kayser, O.1
Kiderlen, A.F.2
Laatsch, H.3
Croft, S.L.4
-
11
-
-
78751510668
-
Effects of quinone derivatives, such as 1,4-naphthoquinone, on DNA polymerase inhibition and anti-inflammatory action
-
K. Kobayashi, S. Nishiumi, M. Nishida, M. Hirai, T. Azuma, H. Yoshida, Y. Mizushina, M. Yoshida,. Effects of quinone derivatives, such as 1,4-naphthoquinone, on DNA polymerase inhibition and anti-inflammatory action. Med. Chem. 2011, 7, 37.
-
(2011)
Med. Chem.
, vol.7
, pp. 37
-
-
Kobayashi, K.1
Nishiumi, S.2
Nishida, M.3
Hirai, M.4
Azuma, T.5
Yoshida, H.6
Mizushina, Y.7
Yoshida, M.8
-
12
-
-
34548266265
-
Lapachol: An overview
-
H. Hussain, K. Krohn, V. U. Ahmad, G. A. Miana, I. R. Green,. Lapachol: an overview. Arkivoc 2007, ii, 145.
-
(2007)
Arkivoc
, vol.2
, pp. 145
-
-
Hussain, H.1
Krohn, K.2
Ahmad, V.U.3
Miana, G.A.4
Green, I.R.5
-
13
-
-
0038381447
-
An overview of the chemistry and pharmacology of naphthoquinones with emphasis on beta-lapachone and derivatives
-
M. N. Da Silva, V. F. Ferreira, M. C. B. V. De Souza,. An overview of the ch e mistry and pharmacology of naphthoquinones with emphasis on beta-lapachone and derivatives. Quim. Nova 2003, 26, 407.
-
(2003)
Quim. Nova
, vol.26
, pp. 407
-
-
Da Silva, M.N.1
Ferreira, V.F.2
De Souza, M.C.B.V.3
-
14
-
-
44849084454
-
Electrochemical parameters and techniques in drug development, with an emphasis on quinones and related compounds
-
E. A. Hillard, F. C. De Abreu, D. C. M. Ferreira, G. Jaouen, M. O. F. Goulart, C. Amatore,. Electrochemical parameters and techniques in drug development, with an emphasis on quinones and related compounds. Chem. Commun. 2008, 23, 2612.
-
(2008)
Chem. Commun.
, vol.23
, pp. 2612
-
-
Hillard, E.A.1
De Abreu, F.C.2
Ferreira, D.C.M.3
Jaouen, G.4
Goulart, M.O.F.5
Amatore, C.6
-
15
-
-
0041317054
-
Electrospray wings for molecular elephants (Nobel lecture)
-
J. B. Fenn,. Electrospray wings for molecular elephants (Nobel lecture). Angew. Chem. Int. Ed. 2003, 42, 3871.
-
(2003)
Angew. Chem. Int. Ed.
, vol.42
, pp. 3871
-
-
Fenn, J.B.1
-
16
-
-
0037329401
-
Ion formation in MALDI: The cluster ionization mechanism
-
M. Karas, R. Kruger,. Ion formation in MALDI: the cluster ionization mechanism. Chem. Rev. 2003, 103, 427.
-
(2003)
Chem. Rev.
, vol.103
, pp. 427
-
-
Karas, M.1
Kruger, R.2
-
17
-
-
0035246248
-
Mass analysis at the advent of the 21st century
-
S. A. McLuckey, J. M. Wells,. Mass analysis at the advent of the 21st century. Chem. Rev. 2001, 101, 571.
-
(2001)
Chem. Rev.
, vol.101
, pp. 571
-
-
McLuckey, S.A.1
Wells, J.M.2
-
18
-
-
84866102075
-
Fragmentation trees for the structural characterisation of metabolites
-
P. T. Kasper, M. Rojas-Cherto, R. Mistrik, T. Reijmers, T. Hankemeier, R. J. Vreeken,. Fragmentation trees for the structural characterisation of metabolites. Rapid Commun. Mass Spectrom. 2012, 26, 2275.
-
(2012)
Rapid Commun. Mass Spectrom.
, vol.26
, pp. 2275
-
-
Kasper, P.T.1
Rojas-Cherto, M.2
Mistrik, R.3
Reijmers, T.4
Hankemeier, T.5
Vreeken, R.J.6
-
19
-
-
72449190053
-
Gas-phase fragmentation of gamma-lactone derivatives by electrospray ionization tandem mass spectrometry
-
A. E. M. Crotti, E. S. Bronze-Uhle, P. G. B. D. Nascimento, P. M. Donate, S. E. Galembeck, R. Vessecchi, N. P. Lopes,. Gas-phase fragmentation of gamma-lactone derivatives by electrospray ionization tandem mass spectrometry. J. Mass Spectrom. 2009, 44, 1733.
-
(2009)
J. Mass Spectrom.
, vol.44
, pp. 1733
-
-
Crotti, A.E.M.1
Bronze-Uhle, E.S.2
Nascimento, P.G.B.D.3
Donate, P.M.4
Galembeck, S.E.5
Vessecchi, R.6
Lopes, N.P.7
-
20
-
-
41549094544
-
Identification of the in vitro metabolites of 3,4-dihydro-2,2-dimethyl- 2H-naphthol[1,2-b]pyran-5,6-dione(ARQ 501; Beta-lapachone) in whole blood
-
X. S. Miao, S. Miao, P. Song, R. E. Savage, C. Zhong, R. Y. Yang, D. Kizer, H. Wu, E. Volckova, M. A. Ashwell, J. G. Supko, X. Y. He, T. C. K. Chan,. Identification of the in vitro metabolites of 3,4-dihydro-2,2-dimethyl-2H- naphthol[1,2-b]pyran-5,6-dione(ARQ 501; beta-lapachone) in whole blood. Drug Metab. Dispos. 2008, 36, 641.
-
(2008)
Drug Metab. Dispos.
, vol.36
, pp. 641
-
-
Miao, X.S.1
Miao, S.2
Song, P.3
Savage, R.E.4
Zhong, C.5
Yang, R.Y.6
Kizer, D.7
Wu, H.8
Volckova, E.9
Ashwell, M.A.10
Supko, J.G.11
He, X.Y.12
Chan, T.C.K.13
-
21
-
-
60149091195
-
In vitro metabolism of beta-lapachone (ARQ 501) in mammalian hepatocytes and cultured human cells
-
X. S. Miao, C. Y. Zhong, Y. X. Wang, R. E. Savage, R. Y. Yang, D. Kizer, E. Volckova, M. A. Ashwell, T. C. K. Chan,. In vitro metabolism of beta-lapachone (ARQ 501) in mammalian hepatocytes and cultured human cells. Rapid Commun. Mass Spectrom. 2009, 23, 12.
-
(2009)
Rapid Commun. Mass Spectrom.
, vol.23
, pp. 12
-
-
Miao, X.S.1
Zhong, C.Y.2
Wang, Y.X.3
Savage, R.E.4
Yang, R.Y.5
Kizer, D.6
Volckova, E.7
Ashwell, M.A.8
Chan, T.C.K.9
-
22
-
-
33749039189
-
Fragmentation studies of synthetic 2-acylamino-1,4-naphthoquinones by electrospray ionization mass spectrometry
-
R. Vessecchi, P. G. B. D. Nascimento, J. N. C. Lopes, N. P. Lopes,. Fragmentation studies of synthetic 2-acylamino-1,4-naphthoquinones by electrospray ionization mass spectrometry. J. Mass Spectrom. 2006, 41, 1219.
-
(2006)
J. Mass Spectrom.
, vol.41
, pp. 1219
-
-
Vessecchi, R.1
Nascimento, P.G.B.D.2
Lopes, J.N.C.3
Lopes, N.P.4
-
23
-
-
70349156431
-
Gas-phase dissociation of 1,4-naphthoquinone derivative anions by electrospray ionization tandem mass spectrometry
-
R. Vessecchi, C. A. Carollo, J. N. C. Lopes, A. E. M. Crotti, N. P. Lopes, S. E. Galembeck,. Gas-phase dissociation of 1,4-naphthoquinone derivative anions by electrospray ionization tandem mass spectrometry. J. Mass Spectrom. 2009, 44, 1224.
-
(2009)
J. Mass Spectrom.
, vol.44
, pp. 1224
-
-
Vessecchi, R.1
Carollo, C.A.2
Lopes, J.N.C.3
Crotti, A.E.M.4
Lopes, N.P.5
Galembeck, S.E.6
-
24
-
-
84863623202
-
ESI-MS studies of the dehydrogenative Heck reaction of furans with acrylates using benzoquinone as the reoxidant and DMSO as the solvent
-
A. Vasseur, D. Harakat, J. Muzart, J. Le Bras,. ESI-MS studies of the dehydrogenative Heck reaction of furans with acrylates using benzoquinone as the reoxidant and DMSO as the solvent. J. Org. Chem. 2012, 77, 5751.
-
(2012)
J. Org. Chem.
, vol.77
, pp. 5751
-
-
Vasseur, A.1
Harakat, D.2
Muzart, J.3
Le Bras, J.4
-
25
-
-
77954466059
-
Fragmentation studies and electrospray ionization mass spectrometry of lapachol: Protonated, deprotonated and cationized species
-
R. Vessecchi, F. S. Emery, S. E. Galembeck, N. P. Lopes,. Fragmentation studies and electrospray ionization mass spectrometry of lapachol: protonated, deprotonated and cationized species. Rapid Commun. Mass Spectrom. 2010, 24, 2101.
-
(2010)
Rapid Commun. Mass Spectrom.
, vol.24
, pp. 2101
-
-
Vessecchi, R.1
Emery, F.S.2
Galembeck, S.E.3
Lopes, N.P.4
-
26
-
-
79957598101
-
Generation of Naphthoquinone radical anions by electrospray ionization: Solution, gas-phase, and computational chemistry studies
-
R. Vessecchi, Z. Naal, J. N. C. Lopes, S. E. Galembeck, N. P. Lopes,. Generation of Naphthoquinone radical anions by electrospray ionization: solution, gas-phase, and computational chemistry studies. J. Phys. Chem. A 2011, 115, 5453.
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 5453
-
-
Vessecchi, R.1
Naal, Z.2
Lopes, J.N.C.3
Galembeck, S.E.4
Lopes, N.P.5
-
27
-
-
0000233901
-
Computational studies of cyclobutadiene and benzocyclobutene fused to p- and o-quinone
-
M. L. McKee, M. Balci, H. Kilic, E. Yurtsever,. Computational studies of cyclobutadiene and benzocyclobutene fused to p- and o-quinone. J. Phys. Chem A 1998, 102, 2351
-
(1998)
J. Phys. Chem A
, vol.102
, pp. 2351
-
-
McKee, M.L.1
Balci, M.2
Kilic, H.3
Yurtsever, E.4
-
28
-
-
0041863981
-
Polyhedral boranes with exo multiple bonds: Three-dimensional inorganic analogues of quinones
-
M. M. Balakrishnarajan, R. Hoffmann,. Polyhedral boranes with exo multiple bonds: three-dimensional inorganic analogues of quinones. Angew. Chem. Int. Ed. 2003, 42, 3777.
-
(2003)
Angew. Chem. Int. Ed.
, vol.42
, pp. 3777
-
-
Balakrishnarajan, M.M.1
Hoffmann, R.2
-
29
-
-
43749096556
-
Synthetic methods for the preparation of ARQ 501 (beta-lapachone) human blood metabolites
-
R. Y. Yang, D. Kizer, H. Wu, E. Volckova, X. S. Miao, S. M. Ali, M. Tandon, R. E. Savage, T. C. K. Chan, M. A. Ashwell,. Synthetic methods for the preparation of ARQ 501 (beta-lapachone) human blood metabolites. Bioorg Med. Chem. 2008, 16, 5635.
-
(2008)
Bioorg Med. Chem.
, vol.16
, pp. 5635
-
-
Yang, R.Y.1
Kizer, D.2
Wu, H.3
Volckova, E.4
Miao, X.S.5
Ali, S.M.6
Tandon, M.7
Savage, R.E.8
Chan, T.C.K.9
Ashwell, M.A.10
-
30
-
-
84864408810
-
Biomimetic in vitro oxidation of lapachol: A model to predict and analyse the in vivo phase i metabolism of bioactive compounds
-
M. Niehues, V. P. Barros, F. S. Emery, M. Dias-Baruffi, M. D. Assis, N. P. Lopes,. Biomimetic in vitro oxidation of lapachol: a model to predict and analyse the in vivo phase I metabolism of bioactive compounds. Eur. J. Med. Chem. 2012, 54, 804.
-
(2012)
Eur. J. Med. Chem.
, vol.54
, pp. 804
-
-
Niehues, M.1
Barros, V.P.2
Emery, F.S.3
Dias-Baruffi, M.4
Assis, M.D.5
Lopes, N.P.6
-
31
-
-
0000118396
-
Studies in mass pectrometry. I. Mass spectra of substituted naphthoquinones
-
J. H. Bowie, D. W. Cameron, D. H. Williams,. Studies in mass pectrometry. I. Mass spectra of substituted naphthoquinones. J. Am. Chem. Soc. 1965, 81, 5094
-
(1965)
J. Am. Chem. Soc.
, vol.81
, pp. 5094
-
-
Bowie, J.H.1
Cameron, D.W.2
Williams, D.H.3
-
32
-
-
9344252886
-
Mass spectrometry in structural and stereochemical problems. 111. Mass spectrometric fragmentation of substituted naphthoquinones and its application to structural elucidation of echinoderm pigments
-
D. Becher, C. Djerassi, R. E. Moore, H. Singh, P. J. Scheuer,. Mass spectrometry in structural and stereochemical problems. 111. Mass spectrometric fragmentation of substituted naphthoquinones and its application to structural elucidation of echinoderm pigments. J. Org. Chem. 1966, 31, 3650.
-
(1966)
J. Org. Chem.
, vol.31
, pp. 3650
-
-
Becher, D.1
Djerassi, C.2
Moore, R.E.3
Singh, H.4
Scheuer, P.J.5
-
33
-
-
0029090886
-
Structural determination of 1,4-naphthoquinones by mass spectrometry/mass spectrometry
-
W. G. Stensen, E. Jensen,. Structural determination of 1,4-naphthoquinones by mass spectrometry/mass spectrometry. J. Mass Spectrom. 1995, 30, 1126.
-
(1995)
J. Mass Spectrom.
, vol.30
, pp. 1126
-
-
Stensen, W.G.1
Jensen, E.2
-
34
-
-
12344278384
-
Conversion of lapachol to array of furano and pyranonaphthoquinone congeners
-
V. Krishna, J. Lamba, P. Singh,. Conversion of lapachol to array of furano and pyranonaphthoquinone congeners. J. Ind. Chem. Soc. 2004, 81, 1039.
-
(2004)
J. Ind. Chem. Soc.
, vol.81
, pp. 1039
-
-
Krishna, V.1
Lamba, J.2
Singh, P.3
-
35
-
-
46149091762
-
Application of computational quantum chemistry to chemical processes involved in mass spectrometry
-
R. Vessecchi, S. E. Galembeck, N. P. Lopes, P. G. B. D. Nascimento, A. E. M. Crotti,. Application of computational quantum chemistry to chemical processes involved in mass spectrometry. Quim. Nova 2008, 31, 840.
-
(2008)
Quim. Nova
, vol.31
, pp. 840
-
-
Vessecchi, R.1
Galembeck, S.E.2
Lopes, N.P.3
Nascimento, P.G.B.D.4
Crotti, A.E.M.5
-
36
-
-
0001289595
-
Richerce sull acido lapachico
-
E. Paternõ,. Richerce sull acido lapachico. Gazz. Chem. Ital. 1882, 12, 337.
-
(1882)
Gazz. Chem. Ital.
, vol.12
, pp. 337
-
-
Paternõ, E.1
-
37
-
-
37049177180
-
The constitution of lapachic acid (lapachol) and its derivatives
-
S. C. Hooker,. The constitution of lapachic acid (lapachol) and its derivatives. J. Chem. Soc. 1892, 61, 611.
-
(1892)
J. Chem. Soc.
, vol.61
, pp. 611
-
-
Hooker, S.C.1
-
38
-
-
69549111027
-
Quantifying collision induced dissociation energy for small molecule characterization and identification
-
T. M. Kertesz, L. H. Hall, D. W. Hill, D. F. Grant,. Quantifying collision induced dissociation energy for small molecule characterization and identification. J. Am. Soc. Mass Spectrom. 2009, 20, 1759.
-
(2009)
J. Am. Soc. Mass Spectrom.
, vol.20
, pp. 1759
-
-
Kertesz, T.M.1
Hall, L.H.2
Hill, D.W.3
Grant, D.F.4
-
39
-
-
34250817103
-
A new mixing of hartree-fock and local density-functional theories
-
A. D. Becke,. A new mixing of hartree-fock and local density-functional theories. J. Chem. Phys. 1993, 98, 1372.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1372
-
-
Becke, A.D.1
-
40
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron-density
-
C. T. Lee, W. T. Yang, R. G. Parr,. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron-density. Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
41
-
-
0000141448
-
Self-consistent molecular-orbital methods.9. Extended gaussian-type basis for molecular-orbital studies of organic molecules
-
R. Ditchfield, W. J. Hehre, J. A. Pople,. Self-consistent molecular-orbital methods.9. Extended gaussian-type basis for molecular-orbital studies of organic molecules. J. Chem. Phys. 1971, 54, 724.
-
(1971)
J. Chem. Phys.
, vol.54
, pp. 724
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
42
-
-
0038626673
-
-
Revision C.02, 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 C.02, Gaussian, Inc., Wallingford, CT, 2004.
-
(2004)
Gaussian 03
-
-
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..
-
43
-
-
57049136707
-
Reactivity and structure of derivatives of 2-hydroxy-1,4-naphthoquinone (lawsone)
-
G. Lamoureux, A. L. Perez, M. Araya, C. Agüero,. Reactivity and structure of derivatives of 2-hydroxy-1,4-naphthoquinone (lawsone). J. Phys. Org. Chem. 2008, 21, 1022.
-
(2008)
J. Phys. Org. Chem.
, vol.21
, pp. 1022
-
-
Lamoureux, G.1
Perez, A.L.2
Araya, M.3
Agüero, C.4
-
45
-
-
0031555717
-
Trimethyl-p-benzoquinone provides excellent structural, spectroscopic, and thermochemical models for plastoquinone-1 and its radical anion
-
K. E. Wise, A. K. Grafton, R. A. Wheeler,. Trimethyl-p-benzoquinone provides excellent structural, spectroscopic, and thermochemical models for plastoquinone-1 and its radical anion. J. Phys. Chem A 1997, 101, 1160.
-
(1997)
J. Phys. Chem A
, vol.101
, pp. 1160
-
-
Wise, K.E.1
Grafton, A.K.2
Wheeler, R.A.3
-
46
-
-
80855164491
-
Application of the atoms in molecules theory and computational chemistry in mass spectrometry analysis of 1,4-naphthoquinone derivatives
-
R. Vessecchi, J. N. C. Lopes, N. P. Lopes, S. E. Galembeck,. Application of the atoms in molecules theory and computational chemistry in mass spectrometry analysis of 1,4-naphthoquinone derivatives. J. Phys. Chem. A 2011, 115, 12780.
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 12780
-
-
Vessecchi, R.1
Lopes, J.N.C.2
Lopes, N.P.3
Galembeck, S.E.4
-
47
-
-
84986468608
-
An approach to computing electrostatic charges for molecules
-
U. C. Singh, P. A. Kollman,. An approach to computing electrostatic charges for molecules. J. Comp. Chem. 1984, 5, 129.
-
(1984)
J. Comp. Chem.
, vol.5
, pp. 129
-
-
Singh, U.C.1
Kollman, P.A.2
-
48
-
-
77954713977
-
Definition of molecular structure: By choice or by appeal to observation?
-
R. F. W. Bader,. Definition of molecular structure: by choice or by appeal to observation? J. Phys. Chem. A 2010, 114, 7431
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 7431
-
-
Bader, R.F.W.1
-
49
-
-
0345401784
-
A quantum-theory of molecular-structure and its applications
-
R. F. W. Bader,. A quantum-theory of molecular-structure and its applications. Chem. Rev. 1991, 91, 893.
-
(1991)
Chem. Rev.
, vol.91
, pp. 893
-
-
Bader, R.F.W.1
-
50
-
-
77951728284
-
An experimental and computational study on the dissociation behavior of hydroxypyridine N-oxides in atmospheric pressure ionization mass spectrometry
-
M. Butler, P. A. Mañez, G. M. Cabrera,. An experimental and computational study on the dissociation behavior of hydroxypyridine N-oxides in atmospheric pressure ionization mass spectrometry. J. Mass Spectrom. 2010, 45, 536.
-
(2010)
J. Mass Spectrom.
, vol.45
, pp. 536
-
-
Butler, M.1
Mañez, P.A.2
Cabrera, G.M.3
-
51
-
-
85153542555
-
-
AIM version 2.0, Copyright 2002
-
AIM 2000, version 2.0, Copyright 2002. AIM2000 Home Page. Available: http://www.aim2000.de
-
(2000)
AIM2000 Home Page
-
-
-
53
-
-
78651325180
-
-
Swiss National Supercomputing Centre, Manno, Switzerland
-
U. Varetto,. ; Swiss National Supercomputing Centre, Manno, Switzerland.
-
MOLEKEL 5.4
-
-
Varetto, U.1
-
54
-
-
84871833964
-
Gas-phase reactivity of 2-hydroxy-1,4-naphthoquinones: A computational and mass spectrometry study of lapachol congeners
-
R. Vessecchi, F. S. Emery, S. E. Galembeck, N. P. Lopes,. Gas-phase reactivity of 2-hydroxy-1,4-naphthoquinones: a computational and mass spectrometry study of lapachol congeners. J. Mass Spectrom. 2012, 47, 1648.
-
(2012)
J. Mass Spectrom.
, vol.47
, pp. 1648
-
-
Vessecchi, R.1
Emery, F.S.2
Galembeck, S.E.3
Lopes, N.P.4
-
55
-
-
0033940964
-
Importance of gas-phase proton affinities in determining the electrospray ionization response for analytes and solvents
-
M. H. Amad, N. B. Cech, G. S. Jackson, C. G. Enke,. Importance of gas-phase proton affinities in determining the electrospray ionization response for analytes and solvents. J. Mass Spectrom. 2000, 35, 784.
-
(2000)
J. Mass Spectrom.
, vol.35
, pp. 784
-
-
Amad, M.H.1
Cech, N.B.2
Jackson, G.S.3
Enke, C.G.4
-
56
-
-
0004592759
-
Characterization of C-H-O hydrogen-bonds on the basis of the charge-density
-
U. Koch, P. L. A. Popelier,. Characterization of C-H-O hydrogen-bonds on the basis of the charge-density. J. Phys. Chem. 1995, 99, 9747
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 9747
-
-
Koch, U.1
Popelier, P.L.A.2
-
57
-
-
58149171791
-
Atoms-in-molecules dual parameter analysis of weak to strong interactions: Behaviors of electronic energy densities versus laplacian of electron densities at bond critical points
-
W. Nakanishi, S. Hayashi, K. Narahara,. Atoms-in-molecules dual parameter analysis of weak to strong interactions: behaviors of electronic energy densities versus laplacian of electron densities at bond critical points. J. Phys. Chem. A 2008, 112, 13595.
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 13595
-
-
Nakanishi, W.1
Hayashi, S.2
Narahara, K.3
-
58
-
-
0034751199
-
A study of the effect of pH, solvent system, cone potential and the addition of crown ethers on the formation of the monensin protonated parent ion in electrospray mass spectrometry
-
N. P. Lopes, C. B. W. Stark, H. Hong, P. J. Gates, J. Staunton,. A study of the effect of pH, solvent system, cone potential and the addition of crown ethers on the formation of the monensin protonated parent ion in electrospray mass spectrometry. Analyst 2001, 126, 1630.
-
(2001)
Analyst
, vol.126
, pp. 1630
-
-
Lopes, N.P.1
Stark, C.B.W.2
Hong, H.3
Gates, P.J.4
Staunton, J.5
-
59
-
-
0035567362
-
Determination of flavone, flavonol, and flavanone aglycones by negative ion liquid chromatography electrospray ion trap mass spectrometry
-
N. Fabre, I. Rustan, E. de Hoffmann, J. Quetin-Leclercq,. Determination of flavone, flavonol, and flavanone aglycones by negative ion liquid chromatography electrospray ion trap mass spectrometry. J. Am. Soc. Mass Spectrom. 2001, 12, 707.
-
(2001)
J. Am. Soc. Mass Spectrom.
, vol.12
, pp. 707
-
-
Fabre, N.1
Rustan, I.2
De Hoffmann, E.3
Quetin-Leclercq, J.4
-
60
-
-
33750219772
-
Density functional theory and atoms-in-molecule study on the role of two-electron stabilizing interactions in retro-Diels-Alder reaction of cycloadducts derived from substituted cyclopentadiene and p-benzoquinone
-
M. P. Patil, R. B. Sunoj,. Density functional theory and atoms-in-molecule study on the role of two-electron stabilizing interactions in retro-Diels-Alder reaction of cycloadducts derived from substituted cyclopentadiene and p-benzoquinone. Org. Biomol. Chem. 2006, 4, 3923.
-
(2006)
Org. Biomol. Chem.
, vol.4
, pp. 3923
-
-
Patil, M.P.1
Sunoj, R.B.2
|