A TD-DFT basis set and density functional assessment for the calculation of electronic excitation energies of fluorene

Electrically polarized valence basis sets for the SBKJC effective core potential developed for calculations of dynamic polarizabilities and Raman intensities

(2012) Luciano N. Vidal et al.   THEORETICAL CHEMISTRY ACCOUNTS

CASSCF/CASPT2 and TD-DFT Study of Valence and Rydberg Electronic Transitions in Fluorene, Carbazole, Dibenzofuran, and Dibenzothiophene

(2011) Ivan Ljubić et al.   JOURNAL OF PHYSICAL CHEMISTRY A

(2,1-a)-Indenofluorene Derivatives: Syntheses, X-ray Structures, Optical and Electrochemical Properties

(2010) Damien Thirion et al.   CHEMISTRY-A EUROPEAN JOURNAL

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

(2010) M. Valiev et al.   COMPUTER PHYSICS COMMUNICATIONS

Electronic transitions of fluorene, dibenzofuran, carbazole, and dibenzothiophene: From the onset of absorption to the ionization threshold

(2010) Duy Duc Nguyen et al.   JOURNAL OF MOLECULAR SPECTROSCOPY

Synthesis of Light-Emitting Conjugated Polymers for Applications in Electroluminescent Devices

(2009) Andrew C. Grimsdale et al.   CHEMICAL REVIEWS

Synthesis of Conjugated Polymers for Organic Solar Cell Applications

(2009) Yen-Ju Cheng et al.   CHEMICAL REVIEWS

Effects of the CN and NH2 substitutions on the geometrical and optical properties of model vinylfluorenes, based on DFT calculations

(2009) Wichanee Meeto et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Theoretical Study on the Correlation between Band Gap, Bandwidth, and Oscillator Strength in Fluorene-Based Donor−Acceptor Conjugated Copolymers

(2009) Ying-Chieh Hung et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Organometallic Donor−Acceptor Conjugated Polymer Semiconductors: Tunable Optical, Electrochemical, Charge Transport, and Photovoltaic Properties

(2009) Pei-Tzu Wu et al.   MACROMOLECULES

Structural and electronic properties of poly(fluorene–vinylene) copolymer and its derivatives: Time-dependent density functional theory investigation

(2008) W. Meeto et al.   CHEMICAL PHYSICS

Ab initio, DFT, and spectroscopic studies of excited-state structure and dynamics of 9-ethylfluorene

(2008) Bong Hyun Boo et al.   JOURNAL OF MOLECULAR STRUCTURE

Theoretical study of the structures and electronic properties of the dimers of fluorene and carbazole and their derivatives

(2008) Zhijun Gong et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

New Fluorene Derivatives for Blue Electroluminescent Devices:  Influence of Substituents on Thermal Properties, Photoluminescence, and Electroluminescence

(2008) Zhaokuai Peng et al.   Journal of Physical Chemistry C