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Studies of hyperpolarizabilities for para-nitroaniline in the charge-transfer state: Application of a reaction-field response method
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- Larsson, PE (author)
- Uppsala universitet,Institutionen för kvantkemi
- Kristensen, LM (author)
- Mikkelsen, KV (author)
- (creator_code:org_t)
- 1999
- 1999
- English.
- In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. - 0020-7608. ; 75:4-5, s. 449-456
- Journal article (other academic/artistic)
Abstract
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- A multiconfigurational self-consistent reaction-field linear response method was utilized to investigate the hyperpolarizabilities of a solute in an electronically excited state. The excited state is the charge-transfer state in para-nitroaniline and the
Keyword
- NONEQUILIBRIUM SOLVATION; ELECTRON-TRANSFER; SOLVENT; MODEL; SOLUTE; CONTINUUM; MOLECULES; MEDIA
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- vet (subject category)
- art (subject category)
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