The ethylene group as a peptide bond mimicking unit: A theoretical conformational analysis.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 4, p. 471, doi. 10.1002/jcc.540140411
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- Publication type:
- Article
Works matching IS 01928651 AND DT 1993 AND VI 14 AND IP 4
Results: 13
1
2
Comparison of a posteriori and a priori BSSE correction schemes for SCF intermolecular energies.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 4, p. 401, doi. 10.1002/jcc.540140404
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- Publication type:
- Article
3
Theoretical comparison of conformational properties of molecules: Conformational probability maps and similarity index.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 4, p. 478, doi. 10.1002/jcc.540140412
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- Article
4
Masthead.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 4, p. fmi, doi. 10.1002/jcc.540140401
- Publication type:
- Article
5
Yammp: Development of a molecular mechanics program using the modular programming method.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 4, p. 455, doi. 10.1002/jcc.540140410
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- Publication type:
- Article
6
Development of a restricted Hartree-Fock program INDMOL on PARAM: A highly parallel computer.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 4, p. 445, doi. 10.1002/jcc.540140408
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- Publication type:
- Article
7
Molecular orbital studies of enzyme mechanisms. II. Catalytic oxidation of alcohols by liver alcohol dehydrogenase.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 4, p. 392, doi. 10.1002/jcc.540140403
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- Publication type:
- Article
8
Improved solutions to the one-center McMurchie-Davidson tree search problem.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 4, p. 452, doi. 10.1002/jcc.540140409
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- Publication type:
- Article
9
Conformational analysis of bradykinin by annealed molecular dynamics and comparison to NMR-derived conformations.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 4, p. 438, doi. 10.1002/jcc.540140407
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- Publication type:
- Article
10
Conformational properties and homolytic bond cleavage of organic peroxides. I. An empirical approach based upon molecular mechanics and ab initio calculations.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 4, p. 379, doi. 10.1002/jcc.540140402
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- Publication type:
- Article
11
Finite element approach to the electrostatics of macromolecules with arbitrary geometries.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 4, p. 484, doi. 10.1002/jcc.540140413
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- Publication type:
- Article
12
Prediction of possible crystal structures for C-, H-, N-, O-, and F-containing organic compounds.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 4, p. 422, doi. 10.1002/jcc.540140406
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- Publication type:
- Article
13
Analytical density-dependent representation of Hartree-Fock atomic potentials.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 4, p. 410, doi. 10.1002/jcc.540140405
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- Publication type:
- Article