Metallomacrocycle (MacM) complex with cyanide as bridged ligand: Electronic structures of [MacMCN]<sub>n</sub>.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 87, n. 2, p. 89, doi. 10.1002/qua.1116
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2002 AND VI 87 AND IP 2
Results: 5
1
2
Wavepacket propagation in simple molecular systems.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 87, n. 2, p. 68, doi. 10.1002/qua.10084
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- Publication type:
- Article
3
Use of promolecular ASA density functions as a general algorithm to obtain starting MO in SCF calculations.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 87, n. 2, p. 59, doi. 10.1002/qua.10068
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- Publication type:
- Article
4
Basis set effects on B3LYP geometries and energies: case study of interstellar reaction HNCH<sub>2</sub> + <sup>•</sup>CN → H<sub>2</sub>NC(<sup>•</sup>)HCN.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 87, n. 2, p. 101, doi. 10.1002/qua.10053
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- Publication type:
- Article
5
Excited states of Na and Al iso‐electronic ions: Symmetry adapted cluster–configuration interaction study.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 87, n. 2, p. 81, doi. 10.1002/qua.10037
- By:
- Publication type:
- Article