Extension of the Neglect of Diatomic Differential Overlap Method to Spectroscopy. NDDO-G Parametrization and Results for Organic Molecules
- 20 May 1999
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 103 (23), 4553-4559
- https://doi.org/10.1021/jp9902001
Abstract
No abstract availableThis publication has 35 references indexed in Scilit:
- Coupled-cluster calculations of the excitation energies of benzene and the azabenzenesThe Journal of Chemical Physics, 1997
- Theoretical Study of the Electronic Spectra of Uracil and ThymineJournal of the American Chemical Society, 1995
- Theoretical Study of the Electronic Spectrum of CytosineJournal of the American Chemical Society, 1995
- Electron correlation in tetrapyrroles: ab initio calculations on porphyrin and the tautomers of chlorinThe Journal of Physical Chemistry, 1993
- The equation of motion coupled-cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state propertiesThe Journal of Chemical Physics, 1993
- Second-order perturbation theory with a complete active space self-consistent field reference functionThe Journal of Chemical Physics, 1992
- Toward a systematic molecular orbital theory for excited statesThe Journal of Physical Chemistry, 1992
- Intermediate neglect of differential overlap spectroscopic studies on lanthanide complexesTheoretical Chemistry Accounts, 1992
- Extension of the MNDO formalism tod orbitals: Integral approximations and preliminary numerical resultsTheoretical Chemistry Accounts, 1992
- An AM1 theoretical study of the structure and electronic properties of porphyrinThe Journal of Organic Chemistry, 1988