Found: 15
Select item for more details and to access through your institution.
Transition structures and energy barriers of pericyclic reactions in the CASSCF approach.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. 653, doi. 10.1002/qua.560380507
- By:
- Publication type:
- Article
Density functional calculation of transition metal cluster energy surfaces.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. 691, doi. 10.1002/qua.560380510
- By:
- Publication type:
- Article
EUCHEM conference tromsø, June 20, 1989.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. 613, doi. 10.1002/qua.560380503
- By:
- Publication type:
- Article
On the long way from the Coulombic Hamiltonian to the intermolecular energy surfaces: Concluding remarks at the tromsø conference, June 20-22, 1989.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. 741, doi. 10.1002/qua.560380514
- By:
- Publication type:
- Article
Preface.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. 611, doi. 10.1002/qua.560380502
- By:
- Publication type:
- Article
Analysis of molecular shape changes along reaction paths.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. 713, doi. 10.1002/qua.560380512
- By:
- Publication type:
- Article
Methods for electron correlation on large molecules.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. 641, doi. 10.1002/qua.560380506
- By:
- Publication type:
- Article
Molecular point symmetry and the phase of the electronic wave function: Tools for the prediction of critical points of potential energy surfaces.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. 699, doi. 10.1002/qua.560380511
- By:
- Publication type:
- Article
Theoretical study of single-electron capture in the N<sup>5+</sup> + He and O<sup>6+</sup> + He collisions by means of ab initio methods.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. 615, doi. 10.1002/qua.560380504
- By:
- Publication type:
- Article
Exploring the potential energy hypersurface of histamine monocation: Tautomerism in gas phase.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. 727, doi. 10.1002/qua.560380513
- By:
- Publication type:
- Article
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. fmi, doi. 10.1002/qua.560380501
- Publication type:
- Article
The modeling of nucleophilic and electrophilic additions and substitutions using extended Hückel-based reaction potentials.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. 623, doi. 10.1002/qua.560380505
- By:
- Publication type:
- Article
Announcement.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. 759, doi. 10.1002/qua.560380515
- Publication type:
- Article
Covalent and ionic contributions to the bonding of atomic and molecular adsorbates on metal surfaces: A cluster model approach.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. 675, doi. 10.1002/qua.560380509
- By:
- Publication type:
- Article
Localized orbitals for the description of molecular interaction.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. 665, doi. 10.1002/qua.560380508
- By:
- Publication type:
- Article