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
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- Publication type:
- Article
Works matching IS 00207608 AND DT 1990 AND VI 38 AND IP 5
Results: 15
1
2
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
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- Publication type:
- Article
3
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
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- Publication type:
- Article
4
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
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- Publication type:
- Article
5
Preface.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. 611, doi. 10.1002/qua.560380502
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- Publication type:
- Article
6
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
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- Publication type:
- Article
7
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
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- Publication type:
- Article
8
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. fmi, doi. 10.1002/qua.560380501
- Publication type:
- Article
9
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
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- Publication type:
- Article
10
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
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- Publication type:
- Article
11
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
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- Publication type:
- Article
12
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
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- Publication type:
- Article
13
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
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- Publication type:
- Article
14
Announcement.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, n. 5, p. 759, doi. 10.1002/qua.560380515
- Publication type:
- Article
15
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
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- Publication type:
- Article