DOI: 10.1016/0263-7855(94)80002-2. Molecular polarization maps as a tool for studies of intermolecular interactions and chemical reactivity

Molecular polarization maps as a tool for studies of intermolecular interactions and chemical reactivity

10.1016/0263-7855(94)80002-2

Crossref journal-article

Elsevier BV

Journal of Molecular Graphics (78)

Bibliography

Alkorta, I., Perez, J. J., & Villar, H. O. (1994). Molecular polarization maps as a tool for studies of intermolecular interactions and chemical reactivity. Journal of Molecular Graphics, 12(1), 3â13.

Authors 3

Ibon Alkorta (first)
Juan J. Perez (additional)
Hugo O. Villar (additional)

References 18 Referenced 29

{'key': '10.1016/0263-7855(94)80002-2_BIB1', 'first-page': '5969', 'article-title': 'Some new quantum chemical procedures for the analysis of drug-receptor interactions', 'volume': '2', 'author': 'Weinstein', 'year': '1975', 'journal-title': 'Int. J. Quantum Chem.'} / Int. J. Quantum Chem. / Some new quantum chemical procedures for the analysis of drug-receptor interactions by Weinstein (1975)
10.1016/0166-1280(92)87166-W / J. Mol. Struct. (THEOCHEM) / The molecular electrostatic potential and drug design by Pepe (1992)
10.1002/qua.560400725 / Int. J. Quantum Chem. / On the inhibition of alcohol dehydrogenase: shape group analysis of molecular electrostatic potential on van der Waals surfaces for some pyrazole derivatives by Rozas (1991)
10.1016/0263-7855(88)80061-4 / J. Mol. Graph. / Shape group studies of molecular similarity: Relative shapes of van der Waals surfaces and electrostatic potential surfaces of nicotinic agonists by Arteca (1988)
10.1002/9780470125793.ch7 / Molecular electrostatic potentials and chemical reactivity by Politzer (1991)
10.1021/j100249a012 / J. Phys. Chem. / Polarization corrections to electrostatic potentials by Francl (1985)
10.1063/1.444117 / J. Chem. Phys. / Calculation of polarization potentials and three-body induction effects from perturbation theory by Haymet (1982)
10.1016/0009-2614(75)80027-3 / Chem. Phys. Lett. / Theoretical treatment of multiple site reactivity in large molecules by Bartlett (1975)
10.1007/BF00548957 / Theoret. Chim. Acta / A representation of the polarization term in the interaction energy between a molecule and a point-like charge by Bonaccorsi (1976)
10.1021/j100221a024 / J. Phys. Chem. / Proposed procedure for using electrostatic potentials to predict and interpret nucleophilic processes by Politzer (1982)
10.1021/j100373a017 / J. Phys. Chem. / Use of the electrostatic potential at the molecular surface to interpret and predict nucleophilic processes by Sjoberg (1990)
10.1007/978-1-4757-9634-6_9 / Adiabatic polarization potentials for the water and nitrogen molecules. A comparison of large and small basis sets by Douglass (1981)
10.1063/1.1677527 / J. Chem. Phys. / Self-consistent molecular orbital methods. XII. Further extensions of Gaussian-type basis sets for use in molecular orbital studies of organic molecules by Hehre (1972)
10.1007/BF00533485 / Theor. Chim. Acta. / The influence of polarization functions on molecular orbital hydrogenation energies by Hariharan (1973)
10.1007/978-94-011-3032-5_12 / HONDO: A general atomic and molecular electronic structure system by Dupuis (1991)
{'key': '10.1016/0263-7855(94)80002-2_BIB15', 'author': 'Dupuis', 'year': '1987', 'journal-title': 'HONDO 7.0 QCPE Program 544'} / HONDO 7.0 QCPE Program 544 by Dupuis (1987)
10.1126/science.257.5072.942 / Science / Benzene forms hydrogen bonds with water by Suzuki (1992)
{'key': '10.1016/0263-7855(94)80002-2_BIB17', 'author': 'March', 'year': '1992'} by March (1992)

Dates

Type	When
Created	23 years ago (July 25, 2002, 3:07 a.m.)
Deposited	6 years, 3 months ago (May 1, 2019, 9:56 p.m.)
Indexed	11 months, 4 weeks ago (Aug. 27, 2024, 5:48 a.m.)
Issued	31 years, 5 months ago (March 1, 1994)
Published	31 years, 5 months ago (March 1, 1994)
Published Print	31 years, 5 months ago (March 1, 1994)

Funders 0

None

BibTeX

@article{Alkorta_1994, title={Molecular polarization maps as a tool for studies of intermolecular interactions and chemical reactivity}, volume={12}, ISSN={0263-7855}, url={http://dx.doi.org/10.1016/0263-7855(94)80002-2}, DOI={10.1016/0263-7855(94)80002-2}, number={1}, journal={Journal of Molecular Graphics}, publisher={Elsevier BV}, author={Alkorta, Ibon and Perez, Juan J. and Villar, Hugo O.}, year={1994}, month=mar, pages={3–13} }

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