Non-uniform Continuum Model for Solvated Species Based on Frozen-Density Embedding Theory: The Study Case of Solvatochromism of Coumarin 153
ContributorsShedge, Sapana; Zhou, Xiuwen; Wesolowski, Tomasz Adam
Published inChimia, vol. 68, no. 9, p. 609-614
Publication date2014
Abstract
Keywords
- Continuum models
- Density functional theory
- Multi-level simulations
- Orbital-free embedding theory
- Solvatochromism
Affiliation entities
Research groups
Citation (ISO format)
SHEDGE, Sapana, ZHOU, Xiuwen, WESOLOWSKI, Tomasz Adam. Non-uniform Continuum Model for Solvated Species Based on Frozen-Density Embedding Theory: The Study Case of Solvatochromism of Coumarin 153. In: Chimia, 2014, vol. 68, n° 9, p. 609–614. doi: 10.2533/chimia.2014.609
Main files (1)
Article (Published version)
Identifiers
- PID : unige:75040
- DOI : 10.2533/chimia.2014.609
Journal ISSN0009-4293
