Unraveling the similarity of the photoabsorption of deprotonated p-coumaric acid in the gas phase and within the photoactive yellow protein

Excited States in Solution through Polarizable Embedding

(2010) Jógvan Magnus Olsen et al.   Journal of Chemical Theory and Computation

Gas Phase Absorption Studies of Photoactive Yellow Protein Chromophore Derivatives

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

Spectral properties of self-assembled squaraine–tetralactam: a theoretical assessment

(2009) Denis Jacquemin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Chemical and protein shifts in the spectrum of the photoactive yellow protein: a time-dependent density functional theory/molecular mechanics study

(2009) Eneritz Muguruza González et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydrogen bond dynamics in the active site of photoactive yellow protein

(2009) P. A. Sigala et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Polarizable continuum model with the fragment molecular orbital-based time-dependent density functional theory

(2008) Mahito Chiba et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

How Accurate Can a Force Field Become? A Polarizable Multipole Model Combined with Fragment-wise Quantum-Mechanical Calculations

(2008) Pär Söderhjelm et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

Effect of Polarization on the Opsin Shift in Rhodopsins. 1. A Combined QM/QM/MM Model for Bacteriorhodopsin and Pharaonis Sensory Rhodopsin II

(2008) Marius Wanko et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Absorption and emission behaviour of trans-p-coumaric acid in aqueous solutions and some organic solvents

(2007) M. Putschögl et al.   CHEMICAL PHYSICS