A Comparative Theoretical Study on DMABN: Significance of Excited State Optimized Geometries and Direct Comparison of Methodologies
- 10 January 2002
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 106 (5) , 804-815
- https://doi.org/10.1021/jp015513m
Abstract
No abstract availableThis publication has 71 references indexed in Scilit:
- Numerical self-consistent reaction field study of intramolecular charge transfer in p-(dimethylamino)-benzonitrileJournal of Photochemistry and Photobiology A: Chemistry, 1997
- Intramolecular Charge Transfer Excited State Relaxation Processes in Para-Substituted N,N-Dimethylaniline: A Theoretical Study Including Solvent EffectsThe Journal of Physical Chemistry, 1995
- Calculations of the absorption and emission spectra of p-N,N-dimethylaminobenzonitrile and analogues in solutionTheoretical Chemistry Accounts, 1995
- Stochastic Model for Solvent-Assisted Intramolecular Charge-TransferThe Journal of Physical Chemistry, 1994
- Intramolecular charge transfer in aminobenzonitriles: Requirements for dual fluorescencePure and Applied Chemistry, 1993
- Excited-state dipole moments of dual fluorescent 4-(dialkylamino)benzonitriles: influence of alkyl chain length and effective solvent polarityThe Journal of Physical Chemistry, 1992
- Considerations on the dipole moment of molecules forming the twisted intramolecular charge transfer stateJournal of Photochemistry and Photobiology A: Chemistry, 1992
- A theoretical study on the mechanism of charge transfer state formation of 4-(N,N-dimethylamino)benzonitrile in an aqueous solutionThe Journal of Chemical Physics, 1990
- Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functionsTheoretical Chemistry Accounts, 1990
- Electronic structure and twisted intramolecular charge transfer in dimethylanilinesThe Journal of Chemical Physics, 1987