Works matching IS 01928651 AND DT 1988 AND VI 9 AND IP 5
Results: 16
Ab initio vibrational analysis of three rotamers of 2-propen-1-imine, H<sub>2</sub>CCHHCNH, and methanimine, H<sub>2</sub>CNH.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 5, p. 443, doi. 10.1002/jcc.540090502
- By:
- Publication type:
- Article
Shape characterization of some molecular model surfaces.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 5, p. 554, doi. 10.1002/jcc.540090513
- By:
- Publication type:
- Article
Efficient calculation of electrically based intermolecular potentials of weakly bonded clusters.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 5, p. 476, doi. 10.1002/jcc.540090506
- By:
- Publication type:
- Article
Masthead.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 5, p. fmi, doi. 10.1002/jcc.540090501
- Publication type:
- Article
Electron donor-acceptor complexes: Evaluation of MNDO as a computational tool to probe intermolecular interactions.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 5, p. 539, doi. 10.1002/jcc.540090512
- By:
- Publication type:
- Article
An algorithm for the location of branching points on reaction paths.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 5, p. 465, doi. 10.1002/jcc.540090505
- By:
- Publication type:
- Article
Surface model for ZnS thin films: ZnS clusters and chemisorption of ZnCl<sub>2</sub> on ZnS surface.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 5, p. 581, doi. 10.1002/jcc.540090516
- By:
- Publication type:
- Article
General algorithm for calculating vibrational-librational states of a rigid molecule in an external potential. Application to benzene-water complexes.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 5, p. 505, doi. 10.1002/jcc.540090509
- By:
- Publication type:
- Article
Determination of the major solution conformation of tyrocidine A, using molecular mechanics energy minimization and NMR-derived distance and torsion angle constraints.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 5, p. 522, doi. 10.1002/jcc.540090511
- By:
- Publication type:
- Article
Rotation around the C1C2 bond of propylamine, an ab initio study.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 5, p. 460, doi. 10.1002/jcc.540090504
- By:
- Publication type:
- Article
On the second-order terms of perturbation theory.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 5, p. 578, doi. 10.1002/jcc.540090515
- By:
- Publication type:
- Article
Basis set effects and the choice of reference geometry in ab initio calculations of vibrational spectra.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 5, p. 495, doi. 10.1002/jcc.540090508
- By:
- Publication type:
- Article
Ab initio pseudopotential study of the fluxional behavior in tetrahydroborate complexes. Many-body contributions to the energy barriers of NaBH<sub>4</sub>, AlH<sub>2</sub>BH<sub>4</sub>, and GaH<sub>2</sub>BH<sub>4</sub>.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 5, p. 518, doi. 10.1002/jcc.540090510
- By:
- Publication type:
- Article
Fast algorithm for ring perception.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 5, p. 455, doi. 10.1002/jcc.540090503
- By:
- Publication type:
- Article
MC-SCF and CI calculations on four isomers of Si<sub>6</sub>H<sub>6</sub>.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 5, p. 564, doi. 10.1002/jcc.540090514
- By:
- Publication type:
- Article
Barriers to rotation adjacent to double bonds. 4. Effect of basis set on structures, and of electron correlation on relative energies.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 5, p. 488, doi. 10.1002/jcc.540090507
- By:
- Publication type:
- Article