Practical computation of electronic excitation in solution: vertical excitation model
Published 2011 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Practical computation of electronic excitation in solution: vertical excitation model
Authors
Keywords
-
Journal
Chemical Science
Volume 2, Issue 11, Pages 2143
Publisher
Royal Society of Chemistry (RSC)
Online
2011-08-05
DOI
10.1039/c1sc00313e
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- On the solvatochromism of the n ↔π* electronic transitions in ketones
- (2011) Javier Catalán et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- A variational formulation of the polarizable continuum model
- (2010) Filippo Lipparini et al. JOURNAL OF CHEMICAL PHYSICS
- Continuous surface charge polarizable continuum models of solvation. I. General formalism
- (2010) Giovanni Scalmani et al. JOURNAL OF CHEMICAL PHYSICS
- Sorting Out the Relative Contributions of Electrostatic Polarization, Dispersion, and Hydrogen Bonding to Solvatochromic Shifts on Vertical Electronic Excitation Energies
- (2010) Aleksandr V. Marenich et al. Journal of Chemical Theory and Computation
- The opsin shift and mechanism of spectral tuning in rhodopsin
- (2010) Ramkumar Rajamani et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Spectral Shift of the n → π* Transition for Acetone and Formic Acid with an Explicit Solvent Model
- (2010) Yun-Kui Li et al. JOURNAL OF PHYSICAL CHEMISTRY A
- What is Solvatochromism?
- (2010) Alberto Marini et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Vertical electronic excitation with a dielectric continuum model of solvation including volume polarization. I. Theory
- (2009) Daniel M. Chipman JOURNAL OF CHEMICAL PHYSICS
- Vertical electronic excitation with a dielectric continuum model of solvation including volume polarization. II. Implementation and applications
- (2009) Daniel M. Chipman JOURNAL OF CHEMICAL PHYSICS
- Universal Solvation Model Based on the Generalized Born Approximation with Asymmetric Descreening
- (2009) Aleksandr V. Marenich et al. Journal of Chemical Theory and Computation
- Solvent Dependence of n−π* Absorption in Acetone
- (2009) Indrek Renge JOURNAL OF PHYSICAL CHEMISTRY A
- Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory
- (2009) Benedetta Mennucci et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
- (2009) Aleksandr V. Marenich et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Polarizable Continuum Reaction-Field Solvation Models Affording Smooth Potential Energy Surfaces
- (2009) Adrian W. Lange et al. Journal of Physical Chemistry Letters
- Density Functionals with Broad Applicability in Chemistry
- (2008) Yan Zhao et al. ACCOUNTS OF CHEMICAL RESEARCH
- Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3
- (2008) Marko Schreiber et al. JOURNAL OF CHEMICAL PHYSICS
- Response of Scalar Fields and Hydrogen Bonding to Excited-State Molecular Solvation of Carbonyl Compounds
- (2008) Anant D. Kulkarni et al. Journal of Chemical Theory and Computation
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started