On proper dissociation configurations of a molecule.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 629, doi. 10.1002/jcc.540110511
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 1990 AND VI 11 AND IP 5
Results: 14
1
2
A vibrational molecular force field of model compounds with biological interest. I. Harmonic dynamics of crystalline urea at 123 K.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 560, doi. 10.1002/jcc.540110504
- By:
- Publication type:
- Article
3
Computer generation of character tables of generalized wreath product groups.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 589, doi. 10.1002/jcc.540110508
- By:
- Publication type:
- Article
4
Effect of basic set quality and electron correlation on the scale factors of a harmonic force field.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 623, doi. 10.1002/jcc.540110510
- By:
- Publication type:
- Article
5
H/He Molecules in strong electric fields.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 548, doi. 10.1002/jcc.540110503
- By:
- Publication type:
- Article
6
On the use of conformationally dependent geometry trends from ab initio dipeptide studies to refine potentials for the empirical force field CHARMM.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 654, doi. 10.1002/jcc.540110514
- By:
- Publication type:
- Article
7
Overestimation of the coupling component in the CP technique. Application of the indirect counterpoise correction to the H<sub>2</sub>OHF hydrogen-bonded system.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 576, doi. 10.1002/jcc.540110507
- By:
- Publication type:
- Article
8
A new algorithm for solving large inhomogeneous linear system of algebraic equations.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 545, doi. 10.1002/jcc.540110502
- By:
- Publication type:
- Article
9
AM1 molecular orbital studies of the structures, conformations, protonation energies, and electronic properties of triazine dihydrofolate reductase inhibitors.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 644, doi. 10.1002/jcc.540110513
- By:
- Publication type:
- Article
10
Solvent effect and librational entropy calculations on N-acetylalanylglycine amide.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 573, doi. 10.1002/jcc.540110506
- By:
- Publication type:
- Article
11
Masthead.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. fmi, doi. 10.1002/jcc.540110501
- Publication type:
- Article
12
Adaptation of D<sub>2h</sub> ab initio computer code to higher-symmetry point groups.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 636, doi. 10.1002/jcc.540110512
- By:
- Publication type:
- Article
13
Electronic structure and hypolipidemic activity of phthalimide and related compounds. A QSAR study.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 569, doi. 10.1002/jcc.540110505
- By:
- Publication type:
- Article
14
Computing the electric potential of biomolecules: Application of a new method of molecular surface triangulation.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 603, doi. 10.1002/jcc.540110509
- By:
- Publication type:
- Article