An ab initio study of microsolvation of LiF in water: Structures and properties of LiFW<sub>n</sub>, n = 19 complexes.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 11, p. 1336
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2003 AND VI 24 AND IP 11
Results: 10
1
2
Design and training of a neural network for predicting the solvent accessibility of proteins.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 11, p. 1313
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- Publication type:
- Article
3
A theoretical ab initio study on the H<sub>2</sub>NO + O<sub>3</sub> reaction.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 11, p. 1321
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- Publication type:
- Article
4
Isomers of C<sub>20</sub>: An energy profile II.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 11, p. 1287
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- Publication type:
- Article
5
Theoretical studies on the molecular dependence of bond dissociation after core excitations II: CH<sub>3</sub>CO(CH<sub>2</sub>)<sub>n</sub>CN, n = 03.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 11, p. 1329
- By:
- Publication type:
- Article
6
A simple approach for improving the hybrid MMVB force field: Application to the photoisomerization of s-cis butadiene.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 11, p. 1357
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- Publication type:
- Article
7
Implementation of the finite field perturbation method in the CRYSTAL program for calculating the dielectric constant of periodic systems.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 11, p. 1305
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- Publication type:
- Article
8
New analytic approximation to the standard molecular volume definition and its application to generalized Born calculations.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 11, p. 1348
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- Publication type:
- Article
9
On the kinematics of protein folding.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 11, p. 1364
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- Publication type:
- Article
10
Parameterization of charge model 3 for AM1, PM3, BLYP, and B3LYP.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 11, p. 1291
- By:
- Publication type:
- Article