Stereodynamics of bond rotation in tertiary 1-naphthoic acid amides: A computational study.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 4, p. 365, doi. 10.1002/jcc.20172
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2005 AND VI 26 AND IP 4
Results: 9
1
2
A new analytical method for computing solvent-accessible surface area of macromolecules and its gradients.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 4, p. 334, doi. 10.1002/jcc.20125
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- Publication type:
- Article
3
Interaction of sodium and potassium ions with sandwiched cytosine-, guanine-, thymine-, and uracil-base tetrads.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 4, p. 352, doi. 10.1002/jcc.20176
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- Publication type:
- Article
4
Characterization of molecular orbitals by counting nodal regions.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 4, p. 325, doi. 10.1002/jcc.20169
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- Publication type:
- Article
5
A scoring function for docking ligands to low-resolution protein structures.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 4, p. 374, doi. 10.1002/jcc.20175
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- Publication type:
- Article
6
Vibrational computations beyond the harmonic approximation: Performances of the B3LYP density functional for semirigid molecules.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 4, p. 384, doi. 10.1002/jcc.20170
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- Publication type:
- Article
7
Continuous medium theory for nonequilibrium solvation: III. Solvation shift by monopole approximation and multipole expansion in spherical cavity.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 4, p. 399, doi. 10.1002/jcc.20178
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- Publication type:
- Article
8
Quantum vs. classical models of the nitro group for proton chemical shift calculations and conformational analysis.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 4, p. 389, doi. 10.1002/jcc.20177
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- Publication type:
- Article
9
Two-electron integrations in the Quantum Theory of Atoms in Molecules with correlated wave functions.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 4, p. 344, doi. 10.1002/jcc.20173
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- Publication type:
- Article