Density of levels in vibrational spectra of molecules.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 63, n. 4, p. 835, doi. 10.1002/(SICI)1097-461X(1997)63:4<835::AID-QUA4>3.0.CO;2-X
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 1997 AND VI 63 AND IP 4
Results: 9
1
2
<sup>13</sup>C carbonyl chemical shielding tensors: Comparing SCF, MBPT (2), and DFT predictions to experiment.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 63, n. 4, p. 875, doi. 10.1002/(SICI)1097-461X(1997)63:4<875::AID-QUA8>3.0.CO;2-T
- By:
- Publication type:
- Article
3
Exact solution to a general quantum mechanical problem with time-dependent boundary conditions.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 63, n. 4, p. 827, doi. 10.1002/(SICI)1097-461X(1997)63:4<827::AID-QUA3>3.0.CO;2-Y
- By:
- Publication type:
- Article
4
A direct ab initio dynamics study of the water-assisted tautomerization of formamide.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 63, n. 4, p. 861, doi. 10.1002/(SICI)1097-461X(1997)63:4<861::AID-QUA7>3.0.CO;2-U
- By:
- Publication type:
- Article
5
Lucas sequences and Fibonacci triads of graphs in PMO calculation on the charge-transfer bands of a series of EDA complexes: Correlation with experimental and AM1 results.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 63, n. 4, p. 817, doi. 10.1002/(SICI)1097-461X(1997)63:4<817::AID-QUA2>3.0.CO;2-Z
- By:
- Publication type:
- Article
6
Semiempirical calculations of electronic spectra of Ru (II) and Ru (III) compounds in restricted active space CI approximation.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 63, n. 4, p. 853, doi. 10.1002/(SICI)1097-461X(1997)63:4<853::AID-QUA6>3.0.CO;2-V
- By:
- Publication type:
- Article
7
Removal of dependencies from nearly complete basis sets. Calculations on the helium dimer.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 63, n. 4, p. 805, doi. 10.1002/(SICI)1097-461X(1997)63:4<805::AID-QUA1>3.0.CO;2-#
- By:
- Publication type:
- Article
8
Calculation of the one-electron two-center integrals over Slater-type orbitals by means of the ellipsoidal coordinates method.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 63, n. 4, p. 843, doi. 10.1002/(SICI)1097-461X(1997)63:4<843::AID-QUA5>3.0.CO;2-W
- By:
- Publication type:
- Article
9
Extrapolation of real-space quantum chemical calculations from finite-size supercells to the ideal infinite system. III. Application to two-dimensional systems.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 63, n. 4, p. 895, doi. 10.1002/(SICI)1097-461X(1997)63:4<895::AID-QUA9>3.0.CO;2-R
- By:
- Publication type:
- Article