-
1
-
-
0037156098
-
Chiroptical properties from time-dependent density functional theory. I. Circular dichroism spectra of organic molecules
-
J. Autschbach, T. Ziegler, S.J.A. van Gisbergen, and E.J. Baerends Chiroptical properties from time-dependent density functional theory. I. Circular dichroism spectra of organic molecules J. Chem. Phys. 116 2002 6930 6940
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 6930-6940
-
-
Autschbach, J.1
Ziegler, T.2
Van Gisbergen, S.J.A.3
Baerends, E.J.4
-
2
-
-
0037043411
-
Chiroptical properties from time-dependent density functional theory. II. Optical rotations of small to medium sized organic molecules
-
J. Autschbach, S. Patchkovskii, T. Ziegler, S.J.A. van Gisbergen, and E.J. Baerends Chiroptical properties from time-dependent density functional theory. II. Optical rotations of small to medium sized organic molecules J. Chem. Phys. 117 2002 581 592
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 581-592
-
-
Autschbach, J.1
Patchkovskii, S.2
Ziegler, T.3
Van Gisbergen, S.J.A.4
Baerends, E.J.5
-
3
-
-
0038448350
-
Molecular phylogeny of the Magnoliaceae: The biogeography of tropical and temperate disjunctions
-
H. Azuma, J.G. García-Franco, V. Rico-Gray, and L.B. Thien Molecular phylogeny of the Magnoliaceae: the biogeography of tropical and temperate disjunctions Am. J. Bot. 88 2001 2275 2285
-
(2001)
Am. J. Bot.
, vol.88
, pp. 2275-2285
-
-
Azuma, H.1
García-Franco, J.G.2
Rico-Gray, V.3
Thien, L.B.4
-
4
-
-
0030570285
-
Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory
-
R. Bauernschmitt, and R. Ahlrichs Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory Chem. Phys. Lett. 256 1996 454 464
-
(1996)
Chem. Phys. Lett.
, vol.256
, pp. 454-464
-
-
Bauernschmitt, R.1
Ahlrichs, R.2
-
5
-
-
0000189651
-
Density-functional thermochemistry. III. The role of exact exchange
-
A.D. Becke Density-functional thermochemistry. III. The role of exact exchange J. Chem. Phys. 98 1993 5648 5652
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
6
-
-
77950051070
-
Schisandrin derivatives with increased inhibitory potential on prostaglandin PGE2 and leukotriene B4 formation in vitro
-
M. Blunder, E.M. Pferschy-Wenzig, W.M.F. Fabian, A. Hüfner, O. Kunert, R. Saf, W. Schühly, and R. Bauer Schisandrin derivatives with increased inhibitory potential on prostaglandin PGE2 and leukotriene B4 formation in vitro Bioorg. Med. Chem. 18 2010 2809 2815
-
(2010)
Bioorg. Med. Chem.
, vol.18
, pp. 2809-2815
-
-
Blunder, M.1
Pferschy-Wenzig, E.M.2
Fabian, W.M.F.3
Hüfner, A.4
Kunert, O.5
Saf, R.6
Schühly, W.7
Bauer, R.8
-
7
-
-
66449100339
-
The assignment of absolute stereostructures through quantum chemical circular dichroism calculations
-
G. Bringmann, T. Bruhn, K. Maksimenka, and Y. Hemberger The assignment of absolute stereostructures through quantum chemical circular dichroism calculations Eur. J. Org. Chem. 2009 2009 2717 2727
-
(2009)
Eur. J. Org. Chem.
, vol.2009
, pp. 2717-2727
-
-
Bringmann, G.1
Bruhn, T.2
Maksimenka, K.3
Hemberger, Y.4
-
8
-
-
30744460113
-
Progress on the chemistry of dibenzocyclooctadiene lignans
-
J. Chang, J. Reiner, and J. Xie Progress on the chemistry of dibenzocyclooctadiene lignans Chem. Rev. 105 2005 4581 4609
-
(2005)
Chem. Rev.
, vol.105
, pp. 4581-4609
-
-
Chang, J.1
Reiner, J.2
Xie, J.3
-
9
-
-
0037431283
-
Systematic investigation of modern quantum chemical methods to predict electronic circular dichroism spectra
-
C. Diedrich, and S. Grimme Systematic investigation of modern quantum chemical methods to predict electronic circular dichroism spectra J. Phys. Chem. A 107 2003 2524 2539
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 2524-2539
-
-
Diedrich, C.1
Grimme, S.2
-
10
-
-
2342586722
-
Notes on Magnoliaceae IV
-
R.B. Figlar, and H.P. Nooteboom Notes on Magnoliaceae IV Blumea 49 2004 87 100
-
(2004)
Blumea
, vol.49
, pp. 87-100
-
-
Figlar, R.B.1
Nooteboom, H.P.2
-
11
-
-
84944438568
-
On enantiomorph-polarity estimation
-
H.D. Flack On enantiomorph-polarity estimation Acta Cryst. A 39 1983 876 881
-
(1983)
Acta Cryst. A
, vol.39
, pp. 876-881
-
-
Flack, H.D.1
-
12
-
-
11244282931
-
-
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, 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, and J.A. Pople Gaussian 03, Revision B.04 2004 Gaussian, Inc. Wallingford, CT
-
(2004)
Gaussian 03, Revision B.04
-
-
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
Adamo, C.36
Jaramillo, J.37
Gomperts, R.38
Stratmann, R.E.39
Yazyev, O.40
Austin, A.J.41
Cammi, R.42
Pomelli, C.43
Ochterski, J.W.44
Ayala, P.Y.45
Morokuma, K.46
Voth, G.A.47
Salvador, P.48
Dannenberg, J.J.49
Zakrzewski, V.G.50
Dapprich, S.51
Daniels, A.D.52
Strain, M.C.53
Farkas, O.54
Malick, D.K.55
Rabuck, A.D.56
Raghavachari, K.57
Foresman, J.B.58
Ortiz, J.V.59
Cui, Q.60
Baboul, A.G.61
Clifford, S.62
Cioslowski, J.63
Stefanov, B.B.64
Liu, G.65
Liashenko, A.66
Piskorz, P.67
Komaromi, I.68
Martin, R.L.69
Fox, D.J.70
Keith, T.71
Al-Laham, M.A.72
Peng, C.Y.73
Nanayakkara, A.74
Challacombe, M.75
Gill, P.M.W.76
Johnson, B.77
Chen, W.78
Wong, M.W.79
Gonzalez, C.80
Pople, J.A.81
more..
-
16
-
-
0034090652
-
Circular dichroism of helicenes investigated by time-dependent density functional theory
-
F. Furche, R. Ahlrichs, C. Wachsmann, E. Weber, A. Sobanski, F. Voegtle, and S. Grimme Circular dichroism of helicenes investigated by time-dependent density functional theory J. Am. Chem. Soc. 122 2000 1717 1724
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 1717-1724
-
-
Furche, F.1
Ahlrichs, R.2
Wachsmann, C.3
Weber, E.4
Sobanski, A.5
Voegtle, F.6
Grimme, S.7
-
17
-
-
18144369730
-
Time-dependent density functional methods for excited state properties
-
F. Furche, and R. Ahlrichs Time-dependent density functional methods for excited state properties J. Chem. Phys. 121 2004 12772 12773
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 12772-12773
-
-
Furche, F.1
Ahlrichs, R.2
-
18
-
-
0037199578
-
An improved method for density functional calculations of the frequency-dependent optical rotation
-
S. Grimme, F. Furche, and R. Ahlrichs An improved method for density functional calculations of the frequency-dependent optical rotation Chem. Phys. Lett. 361 2002 321 328
-
(2002)
Chem. Phys. Lett.
, vol.361
, pp. 321-328
-
-
Grimme, S.1
Furche, F.2
Ahlrichs, R.3
-
19
-
-
71649089454
-
Bioactivity and chemical composition of the leaf essential oil of Talauma gloriensis Pittier (Magnoliaceae) from Monteverde, Costa Rica
-
W.A. Haber, B.R. Agius, S.L. Stokes, and W.N. Setzer Bioactivity and chemical composition of the leaf essential oil of Talauma gloriensis Pittier (Magnoliaceae) from Monteverde, Costa Rica Rec. Nat. Prod. 2 2008 1 5
-
(2008)
Rec. Nat. Prod.
, vol.2
, pp. 1-5
-
-
Haber, W.A.1
Agius, B.R.2
Stokes, S.L.3
Setzer, W.N.4
-
20
-
-
77956339805
-
-
B.E. Hammel, M.H. Grayum, N. Zamora, Missouri Botanical Garden Press
-
B.E. Hammel, M.H. Grayum, N. Zamora, Manual de plantas de Costa Rica vol. 6 2007 Missouri Botanical Garden Press 250 252
-
(2007)
Manual de Plantas de Costa Rica
, vol.6
, pp. 250-252
-
-
-
21
-
-
38349137146
-
Determination of absolute structure using Bayesian statistics on Bijvoet differences
-
R.W.W. Hooft, L.H. Straver, and A.L. Spek Determination of absolute structure using Bayesian statistics on Bijvoet differences J. Appl. Cryst. 41 2008 96 103
-
(2008)
J. Appl. Cryst.
, vol.41
, pp. 96-103
-
-
Hooft, R.W.W.1
Straver, L.H.2
Spek, A.L.3
-
22
-
-
0018365049
-
The constituents of Schizandra chinensis Baill. Isolation and structure determination of five new lignans, gomisin A, B, C, F and G, and the absolute structure of schizandrin
-
Y. Ikeya, H. Taguchi, I. Yosika, and H. Kobayashi The constituents of Schizandra chinensis Baill. Isolation and structure determination of five new lignans, gomisin A, B, C, F and G, and the absolute structure of schizandrin Chem. Pharm. Bull. 27 1979 1383 1394
-
(1979)
Chem. Pharm. Bull.
, vol.27
, pp. 1383-1394
-
-
Ikeya, Y.1
Taguchi, H.2
Yosika, I.3
Kobayashi, H.4
-
23
-
-
85027474377
-
Untersuchung über das Vorkommen herzwirksamer Substanzen bei den Magnoliaceae
-
R. Jaretzky, and W. Lier Untersuchung über das Vorkommen herzwirksamer Substanzen bei den Magnoliaceae Arch. Pharm. 276 1938 138 149
-
(1938)
Arch. Pharm.
, vol.276
, pp. 138-149
-
-
Jaretzky, R.1
Lier, W.2
-
25
-
-
67650671664
-
Antipyretic and anti-inflammatory properties of the ethanolic extract, dichloromethane fraction and costunolide from Magnolia ovata (Magnoliaceae)
-
C.A. Kassuya, A. Cremoneze, L.F. Barros, A.S. Simas, R. Lapa Fda, R. Mello-Silva, M.E. Stefanello, and A.R. Zampronio Antipyretic and anti-inflammatory properties of the ethanolic extract, dichloromethane fraction and costunolide from Magnolia ovata (Magnoliaceae) J. Ethnopharm. 124 2009 369 376
-
(2009)
J. Ethnopharm.
, vol.124
, pp. 369-376
-
-
Kassuya, C.A.1
Cremoneze, A.2
Barros, L.F.3
Simas, A.S.4
Lapa Fda, R.5
Mello-Silva, R.6
Stefanello, M.E.7
Zampronio, A.R.8
-
26
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
C. Lee, W. Yang, and R.G. Parr Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Phys. Rev. B 37 1988 785 789
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
27
-
-
0034035866
-
Overview of the pharmacological features of honokiol
-
Y. Maruyama, and H. Kuribara Overview of the pharmacological features of honokiol CNS Drug Rev. 6 2000 35 44
-
(2000)
CNS Drug Rev.
, vol.6
, pp. 35-44
-
-
Maruyama, Y.1
Kuribara, H.2
-
28
-
-
0024310768
-
Chemical and pharmacological studies on Talauma ovata St.-Hil. (Magnoliaceae)
-
G.S. Morato, J.B. Calixto, L. Cordeiro, T.C.M. de Lima, E.F. Morato, M. Nicolau, G.A. Rae, R.N. Takahashi, R.M.R. Valle, and A.Y. Yunes Chemical and pharmacological studies on Talauma ovata St.-Hil. (Magnoliaceae) J. Ethnopharm. 26 1989 277 286
-
(1989)
J. Ethnopharm.
, vol.26
, pp. 277-286
-
-
Morato, G.S.1
Calixto, J.B.2
Cordeiro, L.3
De Lima, T.C.M.4
Morato, E.F.5
Nicolau, M.6
Rae, G.A.7
Takahashi, R.N.8
Valle, R.M.R.9
Yunes, A.Y.10
-
29
-
-
0034583327
-
Nomenclature of lignans, neolignans (IUPAC recommendations 2000)
-
G.P. Moss Nomenclature of lignans, neolignans (IUPAC recommendations 2000) Pure Appl. Chem. 72 2000 1493 1523
-
(2000)
Pure Appl. Chem.
, vol.72
, pp. 1493-1523
-
-
Moss, G.P.1
-
31
-
-
0035727657
-
The ethnomedicinal uses of Magnoliaceae from the Southeastern United States as leads in drug discovery
-
W. Schühly, I. Khan, and N.H. Fischer The ethnomedicinal uses of Magnoliaceae from the Southeastern United States as leads in drug discovery Pharm. Biol. 39 2001 63 69
-
(2001)
Pharm. Biol.
, vol.39
, pp. 63-69
-
-
Schühly, W.1
Khan, I.2
Fischer, N.H.3
-
32
-
-
77954014930
-
Essential oil analysis of the follicles of four North American Magnolia species
-
W. Schühly, S.A. Ross, Z. Mehmedic, and N.H. Fischer Essential oil analysis of the follicles of four North American Magnolia species Nat. Prod. Commun. 3 2008 1117 1119
-
(2008)
Nat. Prod. Commun.
, vol.3
, pp. 1117-1119
-
-
Schühly, W.1
Ross, S.A.2
Mehmedic, Z.3
Fischer, N.H.4
-
33
-
-
64049090581
-
Neolignans from North American Magnolia species with cyclooxygenase 2 inhibitory activity
-
W. Schühly, S.I. Khan, and N.H. Fischer Neolignans from North American Magnolia species with cyclooxygenase 2 inhibitory activity Inflammopharmacology 17 2009 106 110
-
(2009)
Inflammopharmacology
, vol.17
, pp. 106-110
-
-
Schühly, W.1
Khan, S.I.2
Fischer, N.H.3
-
34
-
-
66449098340
-
4-formation
-
4-formation Bioorg. Med. Chem. 17 2009 4459 4465
-
(2009)
Bioorg. Med. Chem.
, vol.17
, pp. 4459-4465
-
-
Schühly, W.1
Hüfner, A.2
Pferschy-Wenzig, E.M.3
Prettner, E.4
Adams, M.5
Bodensieck, A.6
Kunert, O.7
Oluwemimo, A.8
Haslinger, E.9
Bauer, R.10
-
35
-
-
0142087956
-
Spectral assignments of reference data
-
W. Seebacher, N. Simic, R. Weis, R. Saf, and O. Kunert Spectral assignments of reference data Magn. Reson. Chem. 41 2003 636 638
-
(2003)
Magn. Reson. Chem.
, vol.41
, pp. 636-638
-
-
Seebacher, W.1
Simic, N.2
Weis, R.3
Saf, R.4
Kunert, O.5
-
37
-
-
0000985376
-
Biologically active lignans and neolignans from Magnolia species
-
Q. Song, and N.H. Fischer Biologically active lignans and neolignans from Magnolia species Rev. Soc. Quím. Méx. 43 1999 211 218
-
(1999)
Rev. Soc. Quím. Méx.
, vol.43
, pp. 211-218
-
-
Song, Q.1
Fischer, N.H.2
-
38
-
-
0034735971
-
Dibenzocyclooctadiene-type lignans from Magnolia pyramidata
-
Q. Song, F. Fronczek, and N.H. Fischer Dibenzocyclooctadiene-type lignans from Magnolia pyramidata Phytochemistry 55 2000 653 661
-
(2000)
Phytochemistry
, vol.55
, pp. 653-661
-
-
Song, Q.1
Fronczek, F.2
Fischer, N.H.3
-
40
-
-
20644438873
-
Chemistry with ADF
-
G. Te Velde, F.M. Bickelhaupt, E.J. Baerends, C. Fonseca Guerra, S.J.A. van Gisbergen, J.G. Snijders, and T. Ziegler Chemistry with ADF J. Comput. Chem. 22 2001 931 967
-
(2001)
J. Comput. Chem.
, vol.22
, pp. 931-967
-
-
Te Velde, G.1
Bickelhaupt, F.M.2
Baerends, E.J.3
Fonseca Guerra, C.4
Van Gisbergen, S.J.A.5
Snijders, J.G.6
Ziegler, T.7
-
41
-
-
84962428823
-
The IEF version of the PCM solvation method: An overview of a new method addressed to study molecular solutes at the QM ab initio level
-
J. Tomasi, B. Mennucci, and E. Cances The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level J. Mol. Struct. (Theochem.) 464 1999 211 226
-
(1999)
J. Mol. Struct. (Theochem.)
, vol.464
, pp. 211-226
-
-
Tomasi, J.1
Mennucci, B.2
Cances, E.3
-
43
-
-
0028141185
-
Magnolia (Magnoliaceae) in Mexico and Central America: A synopsis
-
J.A. Vázquez-G. Magnolia (Magnoliaceae) in Mexico and Central America: a synopsis Brittonia 46 1994 1 23
-
(1994)
Brittonia
, vol.46
, pp. 1-23
-
-
Vázquez, G.J.A.1
|