4.4 Article Proceedings Paper

Computational Approach to the Study of the Lineshape of Absorption and Electronic Circular Dichroism Spectra

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems

Vincenzo Barone et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)

Article Chemistry, Physical

Validation of the B3LYP/N07D and PBE0/N07D Computational Models for the Calculation of Electronic g-Tensors

Vincenzo Barone et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)

Article Chemistry, Physical

Integrated computational approach to vibrationally resolved electronic spectra: Anisole as a test case

Julien Bloino et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Development and validation of the B3LYP/N07D computational model for structural parameter and magnetic tensors of large free radicals

Vincenzo Barone et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)

Article Chemistry, Physical

Ab Initio Prediction of the Emission Color in Phosphorescent Iridium(III) Complexes for OLEDs

Filippo De Angelis et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2008)

Article Chemistry, Physical

Vibronic transitions in large molecular systems: Rigorous prescreening conditions for Franck-Condon factors

H. -C. Jankowiak et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution

Fabrizio Santoro et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Vibronic interactions in the photodetachment spectroscopy of phenide anion

V. Sivaranjana Reddy et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Multidisciplinary

Ab initio calculations of absorption spectra of large molecules in solution: Coumarin C153

Roberto Improta et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)

Review Chemistry, Physical

Time-dependent density functional theory: Past, present, and future

K Burke et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

An efficient approach for the calculation of Franck-Condon integrals of large molecules

M Dierksen et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

Density functional calculations of the vibronic structure of electronic absorption spectra

M Dierksen et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

Adiabatic time-dependent density functional methods for excited state properties

F Furche et al.

JOURNAL OF CHEMICAL PHYSICS (2002)

Article Chemistry, Physical

Ab initio study of excited electronic states and vibronic spectra of phenyl radical

GS Kim et al.

CHEMICAL PHYSICS LETTERS (2002)