-
1
-
-
0021409432
-
Microwave spectroscopic study of malonaldehyde. 3. Vibration-rotation interaction and one-dimensional model from proton tunneling
-
Baughcum, S. L.; Smith, Z.; Wilson, E. B.; Duerst, R. W.: Microwave spectroscopic study of malonaldehyde. 3. Vibration-rotation interaction and one-dimensional model from proton tunneling. J. Am. Chem. Soc. 106 (1984) 2260-2265.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 2260-2265
-
-
Baughcum, S.L.1
Smith, Z.2
Wilson, E.B.3
Duerst, R.W.4
-
2
-
-
84977289324
-
An empirical correction for absorption anisotropy
-
Blessing, R. H.: An empirical correction for absorption anisotropy. Acta Cryst. A51 (1995) 33-38.
-
(1995)
Acta Cryst.
, vol.A51
, pp. 33-38
-
-
Blessing, R.H.1
-
3
-
-
0004150157
-
-
Bruker Axs Inc., Madison, Wisconsin, USA. SHELXTL Version 6.10 (201).
-
SHELXTL Version 6.10
, pp. 201
-
-
-
4
-
-
0033515394
-
A new ONIOM implementation in Gaussian 98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives
-
Dapprich, S.; I. Komáromi, I.; Byun, K. S.; Morokuma, K.; Frisch, M. J.: A new ONIOM implementation in Gaussian 98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives. J. Mol. Struct. (Theochem) (1999) 461-462, 1-21.
-
(1999)
J. Mol. Struct. (Theochem)
, vol.461-462
, pp. 1-21
-
-
Dapprich, S.1
Komáromi, I.I.2
Byun, K.S.3
Morokuma, K.4
Frisch, M.J.5
-
5
-
-
0001478784
-
The crystal and molecular structure of 5-amino-2-thiol-1,3,4-thiadiazole
-
Downie, T. C.; Harrison, W.; Raper, E. S.; Hepworth, M.A.: The crystal and molecular structure of 5-amino-2-thiol-1,3,4-thiadiazole. Acta Cryst. B28 (1972) 1584-1590.
-
(1972)
Acta Cryst.
, vol.B28
, pp. 1584-1590
-
-
Downie, T.C.1
Harrison, W.2
Raper, E.S.3
Hepworth, M.A.4
-
6
-
-
0001496983
-
B-diketone interactions. Part 10. The structure and properties of 3-(2′,4′-dimethoxyphenyl) pentane-2,4-dione; enol ring symmetry and other hydrogen bond parameters
-
Emsley, J.; Lewina, Y. Y. Ma.; Karaulov, S. A; Motevalli, M.; Hursthouse, M. B.: B-diketone interactions. Part 10. The structure and properties of 3-(2′,4′-dimethoxyphenyl) pentane-2,4-dione; enol ring symmetry and other hydrogen bond parameters. Journal of Molecular Structure 216 (1990) 143-152.
-
(1990)
Journal of Molecular Structure
, vol.216
, pp. 143-152
-
-
Emsley, J.1
Lewina, Y.Y.Ma.2
Karaulov, S.A.3
Motevalli, M.4
Hursthouse, M.B.5
-
7
-
-
0000452218
-
The crystal and molecular structure of 2-mercaptobenzimidazole
-
Form, G. R.; Raper, E. S.; Downie, T. C.: The crystal and molecular structure of 2-mercaptobenzimidazole. Acta Cryst. B32 (1976) 345-348.
-
(1976)
Acta Cryst.
, vol.B32
, pp. 345-348
-
-
Form, G.R.1
Raper, E.S.2
Downie, T.C.3
-
8
-
-
0010784032
-
X-ray crystal analysis of the substrates of aconitase. X. The structure of dipotassium cis-aconitate
-
Glusker, J. P.; Orehovsky Jr., W.; Casciato, C. A.; Carell, H. L.: X-ray crystal analysis of the substrates of aconitase. X. The structure of dipotassium cis-aconitate. Acta Cryst. B28 (1972) 419-425.
-
(1972)
Acta Cryst.
, vol.B28
, pp. 419-425
-
-
Glusker, J.P.1
Orehovsky W., Jr.2
Casciato, C.A.3
Carell, H.L.4
-
9
-
-
0004133516
-
-
Gaussian, Inc. Pittsburgh PA
-
Gaussian 98, Revision A.7, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. AlLaham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1998.
-
(1998)
Gaussian 98, Revision A.7
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
AlLaham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Gonzalez, C.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
-
10
-
-
10844256940
-
Evidence for resonance-assisted hydrogen-bonding from crystal-structure correlations on the enol from of the β-diketone fragment
-
Gilli, G.; Bellucci, F.; Ferretti, V.; Bertolasi, V.: Evidence for resonance-assisted hydrogen-bonding from crystal-structure correlations on the enol from of the β-diketone fragment. J. Am. Soc. 111 (1989) 1023-1028.
-
(1989)
J. Am. Soc.
, vol.111
, pp. 1023-1028
-
-
Gilli, G.1
Bellucci, F.2
Ferretti, V.3
Bertolasi, V.4
-
11
-
-
0346213329
-
Heterocyclic system containing bridgehead nitrogen atom: Part XXXIV. Reaction of 4-chloro-2-mercaptobenzimidazole with chloroacetic acid, β-bromopropionic acid, α-halogenoketone and 1,2-dibromoethane
-
Gupta, R. P.; Handa, R. N.; Pujari, H. K.: Heterocyclic System Containing Bridgehead Nitrogen Atom: Part XXXIV. Reaction of 4-Chloro-2-mercaptobenzimidazole with Chloroacetic Acid, β-Bromopropionic Acid, α-Halogenoketone and 1,2-Dibromoethane. Indian J. Chem., Sect. B (1979) 17B 572-574.
-
(1979)
Indian J. Chem., Sect. B
, vol.17 B
, pp. 572-574
-
-
Gupta, R.P.1
Handa, R.N.2
Pujari, H.K.3
-
13
-
-
0010922564
-
Heterocyclic system containing bridge-head nitrogen atom: Part XXXIX. Reaction of 2-mercapto-4-bromo-6-methylbenzimidazole with chloroacetic acid and 1,2-dibromoethane
-
Jain, K. K.; Pujari, H. K.: Heterocyclic System Containing Bridge-head Nitrogen Atom: Part XXXIX. Reaction of 2-Mercapto-4-bromo-6-methylbenzimidazole with Chloroacetic Acid and 1,2-Dibromoethane. Indian J. Chem., Sect. B (1981) 20B 294-295.
-
(1981)
Indian J. Chem., Sect. B
, vol.20 B
, pp. 294-295
-
-
Jain, K.K.1
Pujari, H.K.2
-
14
-
-
0000452223
-
The crystal and molecular structure of the enol form of 1-phenyl-1,3-butanedione (benzoylacetone) by neutron diffraction
-
Jones, R. D. G.: The crystal and molecular structure of the enol form of 1-phenyl-1,3-butanedione (benzoylacetone) by neutron diffraction. Acta Cryst. B32 (1976) 2133-2136.
-
(1976)
Acta Cryst.
, vol.B32
, pp. 2133-2136
-
-
Jones, R.D.G.1
-
15
-
-
0010861904
-
Acetylation and cyclization reactions of some imidazole derivatives containing 1,3-dicarbonyl system
-
Koóš, M.: Acetylation and cyclization reactions of some imidazole derivatives containing 1,3-dicarbonyl system. Chem. Papers 48(2) (1994a) 108-110.
-
(1994)
Chem. Papers
, vol.48
, Issue.2
, pp. 108-110
-
-
Koóš, M.1
-
16
-
-
21844521996
-
Synthesis and antimicrobial activity of some 2-Alkyl-2H-1,4-benzothiazin-3(4H)-ones and 2-Alkylbenzo[d]imidazolo[2,1-b]-thiazolidin-3-ones
-
Koóš, M.: Synthesis and Antimicrobial Activity of Some 2-Alkyl-2H-1,4-benzothiazin-3(4H)-ones and 2-Alkylbenzo[d]imidazolo[2,1-b]-thiazolidin-3-ones. Monatsh. Chem. (1994b) 125 1011-1016.
-
(1994)
Monatsh. Chem.
, vol.125
, pp. 1011-1016
-
-
Koóš, M.1
-
17
-
-
0002732736
-
Influence of structure on antimicrobial activity of some heterocycles III. 1-substituted 2-methyl-5-nitroimidazoles
-
Koóš, M.; Novotná, Z.; Rybár, A.; Influence of Structure on Antimicrobial Activity of Some Heterocycles III. 1-Substituted 2-Methyl-5-nitroimidazoles. Chem. Papers (1994) 48 50-54.
-
(1994)
Chem. Papers
, vol.48
, pp. 50-54
-
-
Koóš, M.1
Novotná, Z.2
Rybár, A.3
-
18
-
-
4243878704
-
Hydrogen bond studies. CXLII. Neutron difffraction study of the two very short hydrogen bonds in lithium hydrogen phtalate-metanol
-
Küppers, H.; Kvick, Å.; Olovsson, I.: Hydrogen bond studies. CXLII. Neutron difffraction study of the two very short hydrogen bonds in lithium hydrogen phtalate-metanol. Acta Cryst. B37 (1981) 1203-1207.
-
Acta Cryst. B
, vol.37
, Issue.1981
, pp. 1203-1207
-
-
Küppers, H.1
Kvick, Å.2
Olovsson, I.3
-
19
-
-
0010783520
-
Commercial applications of benzimidazoles
-
Preston, P. N.: Commercial applications of benzimidazoles. Chem. Heterocycl. Compd. (1980) 40 531-542.
-
(1980)
Chem. Heterocycl. Compd.
, vol.40
, pp. 531-542
-
-
Preston, P.N.1
-
20
-
-
0030946055
-
Effects of derivatives of 2-mercaptobenzimidazole on polyketide biosynthesis in Penicillium frequentans
-
Proksa, B.; Šturdíková, M.; Čertík, M.; Koóš, M.; Preizingerová, T.; Fuska, J.; Effects of derivatives of 2-mercaptobenzimidazole on polyketide biosynthesis in Penicillium frequentans. Biotechnol. Appl. Biochem. (1997) 25 169-172.
-
(1997)
Biotechnol. Appl. Biochem.
, vol.25
, pp. 169-172
-
-
Proksa, B.1
Šturdíková, M.2
Čertík, M.3
Koóš, M.4
Preizingerová, T.5
Fuska, J.6
-
21
-
-
0000613983
-
An ab initio study of the conformation and intramolecular proton transfer in the enol form of acetylacetone
-
Rios, M.A.; Rodrīguez, J.: An ab initio study of the conformation and intramolecular proton transfer in the enol form of acetylacetone. Journal of Molecular Structure (Theochem) 204 (1990) 137-144.
-
(1990)
Journal of Molecular Structure (Theochem)
, vol.204
, pp. 137-144
-
-
Rios, M.A.1
Rodriguez, J.2
-
22
-
-
26344435738
-
Fully optimized contracted Gaussian basis sets for atoms Li to Kr
-
Schäfer A.; Horn, H.; Alhrichs, R.: Fully optimized contracted Gaussian basis sets for atoms Li to Kr. J. Chem. Phys 97 (1992) 2571-2577.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 2571-2577
-
-
Schäfer, A.1
Horn, H.2
Alhrichs, R.3
-
23
-
-
0004283944
-
-
University of Göttingen, Germany
-
Sheldrick, G. M. (2001). SADABS. University of Göttingen, Germany.
-
(2001)
SADABS
-
-
Sheldrick, G.M.1
-
24
-
-
0010861155
-
-
Analytical X-ray Instruments Inc., Madison, Wisconsin, USA
-
Siemens (2001). SMART, SAINT and XPREP. Siemens Analytical X- ray Instruments Inc., Madison, Wisconsin, USA.
-
(2001)
SMART, SAINT and XPREP. Siemens
-
-
-
25
-
-
0033481426
-
Infrared absorption and Raman scattering of (Z)-3-hydroxypropenal. A density functional theoretical study
-
Spangert-Larsen, J.: Infrared absorption and Raman scattering of (Z)-3-hydroxypropenal. A density functional theoretical study. Chemical Physics 240 (1999) 51-61.
-
(1999)
Chemical Physics
, vol.240
, pp. 51-61
-
-
Spangert-Larsen, J.1
-
27
-
-
33748617338
-
A single crystal neutron diffraction study of the temperature dependence of hydrogen-atom disorder in benzoic acid dimers
-
Wilson, C. C.; Shankland, N.; Florence, A. J.: A single crystal neutron diffraction study of the temperature dependence of hydrogen-atom disorder in benzoic acid dimers. J. Chem. Soc., Faraday Trans. 92(24) (1996) 5051-5057.
-
(1996)
J. Chem. Soc., Faraday Trans.
, vol.92
, Issue.24
, pp. 5051-5057
-
-
Wilson, C.C.1
Shankland, N.2
Florence, A.J.3
|