Semiempirical study of compounds with O-HO intramolecular hydrogen bond.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 7, p. 860, doi. 10.1002/jcc.540130710
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- Publication type:
- Article
Works matching IS 01928651 AND DT 1992 AND VI 13 AND IP 7
Results: 16
1
2
Conformational analysis of carbonyl and thiocarbonyl ethyl esters: The HC( X).
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 7, p. 799, doi. 10.1002/jcc.540130703
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- Publication type:
- Article
3
Validation of the general purpose QUANTA ®3.2/CHARMm® force field.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 7, p. 888, doi. 10.1002/jcc.540130714
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- Publication type:
- Article
4
Heats of formation of organic molecules by Ab Initio calculations: Carboxylic acids and esters.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 7, p. 838, doi. 10.1002/jcc.540130707
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- Publication type:
- Article
5
Long time dynamics of a polymer with rigid body monomer units relating to a protein model: Comparison with the rouse model.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 7, p. 793, doi. 10.1002/jcc.540130702
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- Publication type:
- Article
6
Cumulative atomic multipole moments complement any atomic charge model to obtain more accurate electrostatic properties.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 7, p. 883, doi. 10.1002/jcc.540130713
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- Publication type:
- Article
7
NDDO fragment self-consistent field approximation for large electronic systems.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 7, p. 830, doi. 10.1002/jcc.540130706
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- Publication type:
- Article
8
Masthead.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 7, p. fmi, doi. 10.1002/jcc.540130701
- Publication type:
- Article
9
Torsional energy levels and wave functions.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 7, p. 874, doi. 10.1002/jcc.540130712
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- Publication type:
- Article
10
Vibrational Stark effect: Theoretical determination through the semiempirical AM1 method.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 7, p. 821, doi. 10.1002/jcc.540130705
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- Publication type:
- Article
11
Electronegativity and Bader's bond critical point.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 7, p. 912, doi. 10.1002/jcc.540130716
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- Publication type:
- Article
12
Molecular mechanics study of conformational trends in simple alcohols and ethers. II. Intramolecular hydrogen bonding.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 7, p. 851, doi. 10.1002/jcc.540130709
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- Publication type:
- Article
13
Semiempirical study of electronic and bonding properties of cobalt silicide clusters.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 7, p. 867, doi. 10.1002/jcc.540130711
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- Publication type:
- Article
14
Stiffness-Adaptive Taylor method for the integration of non-stiff and stiff kinetic models.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 7, p. 810, doi. 10.1002/jcc.540130704
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- Publication type:
- Article
15
Localized electron pair theory for the calculation of ground state energies of large molecules.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 7, p. 901, doi. 10.1002/jcc.540130715
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- Publication type:
- Article
16
Molecular electrostatic potential of substituted aromatic compounds: Factors affecting the differences between Ab Initio and semiempirical results.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 7, p. 842, doi. 10.1002/jcc.540130708
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- Publication type:
- Article