Born-Oppenheimer molecular dynamics and electronic properties of chlorophyll-c2 in liquid methanol

Ionization of chlorophyll-c2 in liquid methanol

(2012) Paula Jaramillo et al.   CHEMICAL PHYSICS LETTERS

Structure and electronic properties of a strong dipolar liquid: Born–Oppenheimer molecular dynamics of liquid hydrogen cyanide

(2012) Hugo F.M.C. Martiniano et al.   CHEMICAL PHYSICS LETTERS

Vibrational modes of methane in the structure H clathrate hydrate from ab initio molecular dynamics simulation

(2012) Masaki Hiratsuka et al.   JOURNAL OF CHEMICAL PHYSICS

How Many Ligands Can Be Bound by Magnesium–Porphyrin? A Symmetry-Adapted Perturbation Theory Study

(2012) Dorota Rutkowska-Zbik et al.   Journal of Chemical Theory and Computation

Explicit solvent effects on the visible absorption spectrum of a photosynthetic pigment: Chlorophyll-c2 in methanol

(2011) Paula Jaramillo et al.   CHEMICAL PHYSICS LETTERS

Quantum Chemical Description of Absorption Properties and Excited-State Processes in Photosynthetic Systems

(2011) Carolin König et al.   CHEMPHYSCHEM

Molecular Dynamics Simulation Study of Chlorophyll a in Different Organic Solvents

(2011) Khadga Karki et al.   Journal of Chemical Theory and Computation

Computational Studies on Structural and Excited-State Properties of Modified Chlorophyllfwith Various Axial Ligands

(2011) SRKC Sharma Yamijala et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Photosynthetic Light-Harvesting Is Tuned by the Heterogeneous Polarizable Environment of the Protein

(2011) Carles Curutchet et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Expanding the solar spectrum used by photosynthesis

(2011) Min Chen et al.   TRENDS IN PLANT SCIENCE

The Influence of Hydrogen Bonds on the Electronic Structure of Light-Harvesting Complexes from Photosynthetic Bacteria

(2010) G. Uyeda et al.   BIOCHEMISTRY

Electronic properties of liquid hydrogen fluoride: A sequential quantum mechanical/Born–Oppenheimer molecular dynamics approach

(2010) Benedito J. Costa Cabral et al.   CHEMICAL PHYSICS LETTERS

Preferential pathways for light-trapping involving β-ligated chlorophylls

(2009) Teodor Silviu Balaban et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Six-coordination in Chlorophylls: The fundamental role of dispersion energy

(2009) A. Ben Fredj et al.   CHEMICAL PHYSICS LETTERS

Self-aggregates of natural chlorophylls and their synthetic analogues in aqueous media for making light-harvesting systems

(2009) Tomohiro Miyatake et al.   COORDINATION CHEMISTRY REVIEWS

Dynamic polarizability, Cauchy moments, and the optical absorption spectrum of liquid water: A sequential molecular dynamics/quantum mechanical approach

(2009) Ricardo A. Mata et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM Model

(2009) Carles Curutchet et al.   Journal of Chemical Theory and Computation

Theoretical Study of ChlorophyllaHydrates Formation in Aqueous Organic Solvents

(2009) Arij Ben Fredj et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The structure of chlorophyll a–water complexes: insights from quantum chemistry calculations

(2008) A. Ben Fredj et al.   CHEMICAL COMMUNICATIONS

Theory of solvatochromic shifts in nonpolar solvents reveals a new spectroscopic rule

(2008) T. Renger et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA