Excited state geometry of photoactive yellow protein chromophore: A combined conductorlike polarizable continuum model and time-dependent density functional study

Continuous surface charge polarizable continuum models of solvation. I. General formalism

(2010) Giovanni Scalmani et al.   JOURNAL OF CHEMICAL PHYSICS

On the relation between time-dependent and variational density functional theory approaches for the determination of excitation energies and transition moments.

(2009) Tom Ziegler et al.   JOURNAL OF CHEMICAL PHYSICS

Continuous and smooth potential energy surface for conductorlike screening solvation model using fixed points with variable areas

(2009) Peifeng Su et al.   JOURNAL OF CHEMICAL PHYSICS

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

Modeling the Excited States of Biological Chromophores within Many-Body Green’s Function Theory

(2009) Yuchen Ma et al.   Journal of Chemical Theory and Computation

Polarizable Continuum Reaction-Field Solvation Models Affording Smooth Potential Energy Surfaces

(2009) Adrian W. Lange et al.   Journal of Physical Chemistry Letters

Hydrogen Bonding Controls Excited-State Decay of the Photoactive Yellow Protein Chromophore

(2009) Martial Boggio-Pasqua et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Solvent effects on optical properties of molecules: A combined time-dependent density functional theory/effective fragment potential approach

(2008) Soohaeng Yoo et al.   JOURNAL OF CHEMICAL PHYSICS

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

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