Quantum chemical comparison of vertical, adiabatic, and 0-0 excitation energies: The PYP and GFP chromophores

Absorption of the green fluorescent protein chromophore anion in the gas phase studied by a combination of FTICR mass spectrometry with laser-induced photodissociation spectroscopy

(2011) Konstantin Chingin et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Electronic structure of the two isomers of the anionic form of p-coumaric acid chromophore

(2011) Dmitry Zuev et al.   JOURNAL OF CHEMICAL PHYSICS

Analytical approach for the excited-state Hessian in time-dependent density functional theory: Formalism, implementation, and performance

(2011) Jie Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Analytical Hessian of electronic excited states in time-dependent density functional theory with Tamm-Dancoff approximation

(2011) Jie Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmarking the Approximate Second-Order Coupled-Cluster Method on Biochromophores

(2011) Robert Send et al.   Journal of Chemical Theory and Computation

Assessing Excited State Methods by Adiabatic Excitation Energies

(2011) Robert Send et al.   Journal of Chemical Theory and Computation

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

Effect of Protein Environment on Electronically Excited and Ionized States of the Green Fluorescent Protein Chromophore

(2011) Ksenia B. Bravaya et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Non-Condon Effects in the One- and Two-Photon Absorption Spectra of the Green Fluorescent Protein

(2011) Eugene Kamarchik et al.   Journal of Physical Chemistry Letters

Active-space completely-renormalized equation-of-motion coupled-cluster formalism: Excited-state studies of green fluorescent protein, free-base porphyrin, and oligoporphyrin dimer

(2010) Karol Kowalski et al.   JOURNAL OF CHEMICAL PHYSICS

Potential Energy Landscape of the Electronic States of the GFP Chromophore in Different Protonation Forms: Electronic Transition Energies and Conical Intersections

(2010) I. V. Polyakov et al.   Journal of Chemical Theory and Computation

Excitation Wavelength Dependence of Dual Fluorescence of DMABN in Polar Solvents

(2010) Tesfay Atsbeha et al.   JOURNAL OF FLUORESCENCE

Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods: CCSDR(3) versus CC3

(2009) Stephan P. A. Sauer et al.   Journal of Chemical Theory and Computation

Toward Understanding the Photochemistry of Photoactive Yellow Protein: A CASPT2/CASSCF and Quantum Theory of Atoms in Molecules Combined Study of a Model Chromophore in Vacuo

(2009) P. B. Coto et al.   Journal of Chemical Theory and Computation

Absorption Spectrum of the Green Fluorescent Protein Chromophore: A Difficult Case for ab Initio Methods?

(2009) Claudia Filippi et al.   Journal of Chemical Theory and Computation

Quantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore. 1. Electronically Excited and Ionized States of the Anionic Chromophore in the Gas Phase

(2009) Evgeny Epifanovsky et al.   Journal of Chemical Theory and Computation

Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules

(2009) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

Time-dependent density-functional theory for molecules and molecular solids

(2009) Mark E. Casida   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Performance of Quasi-Degenerate Scaled Opposite Spin Perturbation Corrections to Single Excitation Configuration Interaction for Excited State Structures and Excitation Energies with Application to the Stokes Shift of 9-Methyl-9,10-dihydro-9-silaphenanthrene

(2009) Young Min Rhee et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Gas Phase Absorption Studies of Photoactive Yellow Protein Chromophore Derivatives

(2009) Tomás Rocha-Rinza et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Deactivation Pathways of an Isolated Green Fluorescent Protein Model Chromophore Studied by Electronic Action Spectroscopy

(2009) Matthew W. Forbes et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Engineered fluorescent proteins: innovations and applications

(2009) Michael W Davidson et al.   NATURE METHODS

Computation of accurate excitation energies for large organic molecules with double-hybrid density functionals

(2009) Lars Goerigk et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Extensive TD-DFT investigation of the first electronic transition in substituted azobenzenes

(2008) Denis Jacquemin et al.   CHEMICAL PHYSICS LETTERS

The photophysics of isolated protein chromophores

(2008) L. H. Andersen et al.   EUROPEAN PHYSICAL JOURNAL D

Simultaneous benchmarking of ground- and excited-state properties with long-range-corrected density functional theory

(2008) Mary A. Rohrdanz et al.   JOURNAL OF CHEMICAL PHYSICS

Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg–Teller effect: The Qx band of porphyrin as a case study

(2008) Fabrizio Santoro et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

(2008) Mario R. Silva-Junior et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

(2008) Marko Schreiber et al.   JOURNAL OF CHEMICAL PHYSICS

Origin of the Absorption Maxima of the Photoactive Yellow Protein Resolved via Ab Initio Multiconfigurational Methods

(2008) Pedro B. Coto et al.   JOURNAL OF PHYSICAL CHEMISTRY B

TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes:  Conventional versus Long-Range Hybrids

(2007) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case

(2007) Fabrizio Santoro et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY