-
2
-
-
0003260714
-
Energetic aspects of crystal packing: Experiment and computer simulations
-
A. Gavezzotti, John Wiley & Sons Chichester (Chapter 3)
-
A. Gavezzotti, and G. Filippini Energetic aspects of crystal packing: experiment and computer simulations A. Gavezzotti, Theoretical Aspects and Computer Modeling of the Molecular Solid State 1997 John Wiley & Sons Chichester 61 97 (Chapter 3)
-
(1997)
Theoretical Aspects and Computer Modeling of the Molecular Solid State
, pp. 61-97
-
-
Gavezzotti, A.1
Filippini, G.2
-
3
-
-
0034758972
-
Molecular modeling study of chiral drug crystals: Lattice energy calculations
-
DOI 10.1002/jps.1103
-
Z.J. Li, W.H. Ojala, and D.J.W. Grant Molecular modeling study of chiral drug crystals: lattice energy calculations J. Pharm. Sci. 90 2001 1523 1539 (Pubitemid 32979747)
-
(2001)
Journal of Pharmaceutical Sciences
, vol.90
, Issue.10
, pp. 1523-1539
-
-
Jane Li, Z.1
Ojala, W.H.2
Grant, D.J.W.3
-
4
-
-
34250902404
-
Amide N-oxide heterosynthon and amide dimer homosynthon in cocrystals of carboxamide drugs and pyridine N-oxides
-
DOI 10.1021/mp070014c
-
N.J. Babu, L.S. Reddy, and A. Nangia Amide-N-Oxide heterosynthon and amide dimmer homosynthon in cocrystals of carboxamide drugs and pyridine N-Oxides Med. Panam. 4 2007 417 434 (Pubitemid 46983957)
-
(2007)
Molecular Pharmaceutics
, vol.4
, Issue.3
, pp. 417-434
-
-
Babu, N.J.1
Reddy, L.S.2
Nangia, A.3
-
5
-
-
27744472975
-
Improved prediction of octanol-water partition coefficients from liquid-solute water solubilities and molar volumes
-
C.T. Chiou, D.W. Schmedding, and M. Manes Improved prediction of octanol-water partition coefficients from liquid-solute water solubilities and molar volumes Environ. Sci. Technol. 39 2005 8840 8846
-
(2005)
Environ. Sci. Technol.
, vol.39
, pp. 8840-8846
-
-
Chiou, C.T.1
Schmedding, D.W.2
Manes, M.3
-
6
-
-
33644781895
-
Prediction of toxicity using a novel RBF neural network training methodology
-
DOI 10.1007/s00894-005-0032-8
-
G. Melagraki, A. Afantitis, K. Makridima, H. Sarimveis, and O. Igglessi-Markopoulou Prediction of toxicity using a novel RBF neural network training methology J. Mol. Model. 12 2006 297 305 (Pubitemid 43337199)
-
(2006)
Journal of Molecular Modeling
, vol.12
, Issue.3
, pp. 297-305
-
-
Melagraki, G.1
Afantitis, A.2
Makridima, K.3
Sarimveis, H.4
Igglessi-Markopoulou, O.5
-
7
-
-
1842636204
-
QSAR study on phenolic activity: Need of positive hydrophobic term ( logP ) in QSAR
-
DOI 10.1016/j.bmc.2004.02.010, PII S0968089604001221
-
M. Thakur, A. Agarwal, A. Thakur, and P.V. Khadikar QSAR study on phenolic activity: need of positive hydrophobic term (log P) in QSAR Bioorg. Med. Chem. 12 2004 2287 2293 (Pubitemid 38471713)
-
(2004)
Bioorganic and Medicinal Chemistry
, vol.12
, Issue.9
, pp. 2287-2293
-
-
Thakur, M.1
Agarwal, A.2
Thakur, A.3
Khadikar, P.V.4
-
11
-
-
0011366366
-
Crystal structures and hydrogen bonding schemes in four benzamide derivatives (2-hydroxy-benzamide, 2-hydroxy-thiobenzamide, 2-hydroxy-N,N- dimethyl-benzamide, and 2-hydroxy-N,N-dimethyl-thiobenzamide)
-
F. Pertlik Crystal structures and hydrogen bonding schemes in four benzamide derivatives (2-hydroxy-benzamide, 2-hydroxy-thiobenzamide, 2-hydroxy-N,N-dimethyl-benzamide, and 2-hydroxy-N,N-dimethyl-thiobenzamide) Monatsh. Chem. 121 1990 129 139
-
(1990)
Monatsh. Chem.
, vol.121
, pp. 129-139
-
-
Pertlik, F.1
-
13
-
-
37549042728
-
Thermodynamic and structural aspects of hydrated and unhydrated phases of 4-hydroxybenzamide
-
G.L. Perlovich, L.Kr. Hansen, T.V. Volkova, S. Mirza, A.N. Manin, and A. Bauer-Brandl Thermodynamic and structural aspects of hydrated and unhydrated phases of 4-hydroxybenzamide Cryst. Growth Des. 7 12 2007 2643 2648
-
(2007)
Cryst. Growth Des.
, vol.7
, Issue.12
, pp. 2643-2648
-
-
Perlovich, G.L.1
Hansen, L.Kr.2
Volkova, T.V.3
Mirza, S.4
Manin, A.N.5
Bauer-Brandl, A.6
-
14
-
-
0032595493
-
The vapour pressure and the enthalpy of sublimation: Determination by inert gas flow method
-
W. Zielenkiewicz, G.L. Perlovich, and M. Wszelaka-Rylik The vapour pressure and the enthalpy of sublimation: determination by inert gas flow method J. Therm. Anal. Calorim. 57 1999 225 234
-
(1999)
J. Therm. Anal. Calorim.
, vol.57
, pp. 225-234
-
-
Zielenkiewicz, W.1
Perlovich, G.L.2
Wszelaka-Rylik, M.3
-
15
-
-
0001151479
-
Thermochemistry of arene chromium tricarbonyls and the strengths of arene-chromium bonds
-
F.A. Adedeji, D.L.S. Brown, J.A. Connor, M.L. Leung, I.M. Paz-Andrade, and H.A. Skinner Thermochemistry of arene chromium tricarbonyls and the strengths of arene-chromium bonds J. Organomet. Chem. 97 1975 221 228
-
(1975)
J. Organomet. Chem.
, vol.97
, pp. 221-228
-
-
Adedeji, F.A.1
Brown, D.L.S.2
Connor, J.A.3
Leung, M.L.4
Paz-Andrade, I.M.5
Skinner, H.A.6
-
16
-
-
0035982010
-
Enthalpies of sublimation of organic and organometallic compounds. 1910-2001
-
J.S. Chickos, and W.E. Acree Jr. Enthalpies of sublimation of organic and organometallic compounds. 1910-2001 J. Phys. Chem. Ref. Data 2 2002 537 698
-
(2002)
J. Phys. Chem. Ref. Data
, vol.2
, pp. 537-698
-
-
Chickos, J.S.1
Acree, Jr.W.E.2
-
17
-
-
84986532189
-
GEPOL: An improved description of molecular surfaces. I. Building the spherical surface set
-
J.L. Pascual-Ahuir, and E. Silla GEPOL: an improved description of molecular surfaces. I. Building the spherical surface set J. Comp. Chem. 11 1990 1047
-
(1990)
J. Comp. Chem.
, vol.11
, pp. 1047
-
-
Pascual-Ahuir, J.L.1
Silla, E.2
-
18
-
-
34548354591
-
Thermochemical studies on salicylaldehyde and salicylamide
-
DOI 10.1016/j.jct.2007.03.006, PII S0021961407000523, Honour issue Professor J. Simoes Redinha on the occasion of his 80th birthday
-
M.D.M.C. Ribeiro da Silva, and N.R.M. Araújo Thermochemical studies on salicylaldehyde and salicylamide J. Chem. Therm. 39 2007 1372 1376 (Pubitemid 47348007)
-
(2007)
Journal of Chemical Thermodynamics
, vol.39
, Issue.10
, pp. 1372-1376
-
-
Ribeiro Da Silva, M.D.M.C.1
Araujo, N.R.M.2
-
19
-
-
4243281910
-
Electrostatic potentials from charge-density studies of benzamide at 123 K
-
J.R. Ruble, and A. Galvao Electrostatic potentials from charge-density studies of benzamide at 123 K Acta Crystallogr. B 51 1995 835 838
-
(1995)
Acta Crystallogr. B
, vol.51
, pp. 835-838
-
-
Ruble, J.R.1
Galvao, A.2
-
20
-
-
18544381680
-
2,3,4,5,6-Pentafluorobenzamide
-
M. Gdaniec 2,3,4,5,6-Pentafluorobenzamide Acta Crystallogr. E 59 2003 o1642 o1644
-
(2003)
Acta Crystallogr. e
, vol.59
-
-
Gdaniec, M.1
-
21
-
-
1242288053
-
2,4,6-Trimethylbenzamide
-
M. Gdaniec, T. Olszewska, and T. Połonski 2,4,6-Trimethylbenzamide Acta Crystallogr. C 60 2004 41 43
-
(2004)
Acta Crystallogr. C
, vol.60
, pp. 41-43
-
-
Gdaniec, M.1
Olszewska, T.2
Połonski, T.3
-
22
-
-
33644917128
-
2,6-Dichlorobenzamide
-
M.K. Rauf, A. Badshah, M. Bolte, and A. Saeed 2,6-Dichlorobenzamide Acta Crystallogr. E 62 2006 1070 1071
-
(2006)
Acta Crystallogr. e
, vol.62
, pp. 1070-1071
-
-
Rauf, M.K.1
Badshah, A.2
Bolte, M.3
Saeed, A.4
-
23
-
-
9344225742
-
Structures of o-aminobenzamide and p-hydroxybenzamide monohydrate
-
S. Kashino, S. Tateno, H. Tanabe, M. Haisa, and Y. Katsube Structures of o-aminobenzamide and p-hydroxybenzamide monohydrate Acta Crystallogr. C 47 1991 2236 2239
-
(1991)
Acta Crystallogr. C
, vol.47
, pp. 2236-2239
-
-
Kashino, S.1
Tateno, S.2
Tanabe, H.3
Haisa, M.4
Katsube, Y.5
-
24
-
-
16244397836
-
Structural studies of benzene derivatives. III. The crystal and molecular structure of p-nitrobenzamide
-
F. Di Rienzo, A. Domenicano, and E.F. Serantoni Structural studies of benzene derivatives. III. The crystal and molecular structure of p-nitrobenzamide Acta Crystallogr. B 33 1977 3854 3858
-
(1977)
Acta Crystallogr. B
, vol.33
, pp. 3854-3858
-
-
Di Rienzo, F.1
Domenicano, A.2
Serantoni, E.F.3
-
25
-
-
33745892928
-
Towards an understanding of the molecular mechanism of solvation of drug molecules: A thermodynamic approach by crystal lattice energy, sublimation, and solubility exemplified by hydroxybenzoic acids
-
DOI 10.1002/jps.20611
-
G.L. Perlovich, T.V. Volkova, and A. Bauer-Brandl Towards an understanding of the molecular mechanism of solvation of drug molecules: a thermodynamic approach by crystal lattice energy, sublimation, and solubility exemplified by hydroxybenzoic acids J. Pharm. Sci. 95 2006 1448 1458 (Pubitemid 44049114)
-
(2006)
Journal of Pharmaceutical Sciences
, vol.95
, Issue.7
, pp. 1448-1458
-
-
Perlovich, G.L.1
Volkova, T.V.2
Bauer-Brandl, A.3
-
26
-
-
0001725723
-
Crystal structures of two polymorphic modifications of m-hydroxybenzoic acid
-
G.V. Gridunova, N.G. Furmanova, Yu.T. Struchkov, Z.I. Ezhkova, L.P. Grigor'eva, and B.A. Chayanov Crystal structures of two polymorphic modifications of m-hydroxybenzoic acid Kristallografiya 27 1982 267 272
-
(1982)
Kristallografiya
, vol.27
, pp. 267-272
-
-
Gridunova, G.V.1
Furmanova, N.G.2
Struchkov, Yu.T.3
Ezhkova, Z.I.4
Grigor'Eva, L.P.5
Chayanov, B.A.6
-
27
-
-
0000329423
-
Structure of p-hydroxybenzoic acid and p-hydroxybenzoic acidacetone complex (2/1)
-
E.A. Heath, P. Singh, and Y. Ebisuzaki Structure of p-hydroxybenzoic acid and p-hydroxybenzoic acidacetone complex (2/1) Acta Crystallogr. C 48 1992 1960 1965
-
(1992)
Acta Crystallogr. C
, vol.48
, pp. 1960-1965
-
-
Heath, E.A.1
Singh, P.2
Ebisuzaki, Y.3
-
28
-
-
0034671722
-
Polymorphism in p-hydroxybenzoic acid: The effect of intermolecular hydrogen bonding in controlling proton order versus disorder in the carboxylic acid dimer motif
-
DOI 10.1002/1521-3773(20001215)39:24<4485::AID-ANIE4485>3.0.CO;2-T
-
B.M. Kariuki, C.L. Bauer, K.D.M. Harris, and S.J. Teat Polymorphism of p-hydroxybenzoic acid: the effect of intermolecular hydrogen bonding in controlling proton order versus disorder in the carboxylic acid dimer motif Angew. Chem. Int. Ed. 39 2000 4485 4488 (Pubitemid 32059085)
-
(2000)
Angewandte Chemie - International Edition
, vol.39
, Issue.24
, pp. 4485-4488
-
-
Kariuki, B.M.1
Bauer, C.L.2
Harris, K.D.M.3
Teat, S.J.4
-
29
-
-
78449305591
-
Thermodynamic study of the three fluorobenzamides: Vapor pressure, phase diagrams, and hydrogen bonds
-
A.R.R.P. Almeida, and M.J.S. Monte Thermodynamic study of the three fluorobenzamides: vapor pressure, phase diagrams, and hydrogen bonds J. Chem. Eng. Data 55 2010 5230 5236
-
(2010)
J. Chem. Eng. Data
, vol.55
, pp. 5230-5236
-
-
Almeida, A.R.R.P.1
Monte, M.J.S.2
|