Related references
Note: Only part of the references are listed.Recent progress in atomistic modeling of light-harvesting complexes: a mini review
Sayan Maity et al.
PHOTOSYNTHESIS RESEARCH (2023)
The Electronic Origin of Far-Red-Light-Driven Oxygenic Photosynthesis
Abhishek Sirohiwal et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2022)
Energy transfer fluctuation observed by single-molecule spectroscopy of red-shifted bacteriochlorophyll in the homodimeric photosynthetic reaction center
Toru Kondo et al.
JOURNAL OF CHEMICAL PHYSICS (2022)
Hybrid functionals with local range separation: Accurate atomization energies and reaction barrier heights
Moritz Bruetting et al.
JOURNAL OF CHEMICAL PHYSICS (2022)
The atomistic modeling of light-harvesting complexes from the physical models to the computational protocol
Edoardo Cignoni et al.
JOURNAL OF CHEMICAL PHYSICS (2022)
The PshX subunit of the photochemical reaction center from Heliobacterium modesticaldum acts as a low-energy antenna
Gregory S. Orf et al.
PHOTOSYNTHESIS RESEARCH (2022)
The initial charge separation step in oxygenic photosynthesis
Yusuke Yoneda et al.
NATURE COMMUNICATIONS (2022)
Quantum chemical elucidation of a sevenfold symmetric bacterial antenna complex
Lorenzo Cupellini et al.
PHOTOSYNTHESIS RESEARCH (2022)
Energetics of the Electron Transfer Pathways in the Homodimeric Photosynthetic Reaction Center
Tomoki Kanda et al.
BIOCHEMISTRY (2022)
Perturbation of the primary acceptor chlorophyll site in the heliobacterial reaction center by coordinating amino acid substitution
Gregory S. Orf et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS (2021)
How Can We Predict Accurate Electrochromic Shifts for Biochromophores? A Case Study on the Photosynthetic Reaction Center
Abhishek Sirohiwal et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)
Nature of Asymmetric Electron Transfer in the Symmetric Pathways of Photosystem I
Koji Mitsuhashi et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2021)
Shedding Light on Primary Donors in Photosynthetic Reaction Centers
Michael Gorka et al.
FRONTIERS IN MICROBIOLOGY (2021)
Comparison between the Light-Harvesting Mechanisms of Type-I Photosynthetic Reaction Centers of Heliobacteria and Photosystem I: Pigment Site Energy Distribution and Exciton State
Akihiro Kimura et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2021)
Investigating Primary Charge Separation in the Reaction Center of Heliobacterium modesticaldum
Moritz Brutting et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2021)
Excitonic structure and charge separation in the heliobacterial reaction center probed by multispectral multidimensional spectroscopy
Yin Song et al.
NATURE COMMUNICATIONS (2021)
Origin and Evolution of Photosystems: Lessons from Green Sulfur Bacteria
Guillaume Tcherkez et al.
CHEMPHOTOCHEM (2021)
Assessing locally range-separated hybrid functionals from a gradient expansion of the exchange energy density
Toni M. Maier et al.
JOURNAL OF CHEMICAL PHYSICS (2021)
Antagonistic Effects of Point Mutations on Charge Recombination and a New View of Primary Charge Separation in Photosynthetic Proteins
K. Dubas et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2021)
Differential sensitivity to oxygen among the bacteriochlorophylls g in the type-I reaction centers of Heliobacterium modesticaldum
Alessandro Agostini et al.
PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES (2021)
Recent advances in the structural diversity of reaction centers
Christopher J. Gisriel et al.
PHOTOSYNTHESIS RESEARCH (2021)
The origin of unidirectional charge separation in photosynthetic reaction centers: nonadiabatic quantum dynamics of exciton and charge in pigment-protein complexes
Hiroyuki Tamura et al.
CHEMICAL SCIENCE (2021)
Multiscale QM/MM molecular dynamics simulations of the trimeric major light-harvesting complex II
Sayan Maity et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)
Excitonic Coupling on a Heliobacterial Symmetrical Type-I Reaction Center: Comparison with Photosystem I
Hirotaka Kitoh-Nishioka et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2020)
On the Role of the Special Pair in Photosystems as a Charge Transfer Rectifier
Huseyin Aksu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2020)
How the Protein Environment Can Tune the Energy, the Coupling, and the Ultrafast Dynamics of Interacting Chlorophylls: The Example of the Water-Soluble Chlorophyll Protein
Elisa Fresch et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
Reconstitution of the heliobacterial photochemical reaction center and cytochrome c553 into a proteoliposome system
William A. Johnson et al.
PHOTOSYNTHESIS RESEARCH (2020)
Charge transfer from the carotenoid can quench chlorophyll excitation in antenna complexes of plants
Lorenzo Cupellini et al.
NATURE COMMUNICATIONS (2020)
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
Sree Ganesh Balasubramani et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Cryogenic Single-Molecule Spectroscopy of the Primary Electron Acceptor in the Photosynthetic Reaction Center
Toru Kondo et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
Molecular dynamics simulations in photosynthesis
Nicoletta Liguori et al.
PHOTOSYNTHESIS RESEARCH (2020)
Acquirement of water-splitting ability and alteration of the charge-separation mechanism in photosynthetic reaction centers
Hiroyuki Tamura et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2020)
A TDDFT investigation of the Photosystem II reaction center: Insights into the precursors to charge separation
Maeve A. Kavanagh et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2020)
Self-interaction correction, electrostatic, and structural influences on time-dependent density functional theory excitations of bacteriochlorophylls from the light-harvesting complex 2
Juliana Kehrer et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Energy transfer and primary charge separation upon selective femtosecond excitation at 810 nm in the reaction center complex from Heliobacterium modesticaldum
Risa Kojima et al.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2020)
DFTB/MM Molecular Dynamics Simulations of the FMO Light-Harvesting Complex
Sayan Maity et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
Protein Matrix Control of Reaction Center Excitation in Photosystem II
Abhishek Sirohiwal et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Architecture of the photosynthetic complex from a green sulfur bacterium
Jing-Hua Chen et al.
SCIENCE (2020)
Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes
Beatrix M. Bold et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
Multiscale modelling of photoinduced processes in composite systems
Benedetta Mennucci et al.
NATURE REVIEWS CHEMISTRY (2019)
Assessing density functional theory in real-time and real-space as a tool for studying bacteriochlorophylls and the light-harvesting complex 2
Ingo Schelter et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Exploring local range separation: The role of spin scaling and one-electron self-interaction
Thilo Aschebrock et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Explaining Spectral Asymmetries and Excitonic Characters of the Core Pigment Pairs in the Bacterial Reaction Center Using a Screened Range-Separated Hybrid Functional
Huseyin Aksu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2019)
Why are photosynthetic reaction centres dimeric?
Natasha Taylor et al.
CHEMICAL SCIENCE (2019)
Dielectric Screening Meets Optimally Tuned Density Functionals
Leeor Kronik et al.
ADVANCED MATERIALS (2018)
Light-Induced Electron Spin-Polarized (ESP) EPR Signal of the P800(+) Menaquinone(-) Radical Pair State in Oriented Membranes of Heliobacterium modesticaldum: Role/Location of Menaquinone in the Homodimeric Type I Reaction Center
Toru Kondo et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2018)
Evolution of photosynthetic reaction centers: insights from the structure of the heliobacterial reaction center
Gregory S. Orf et al.
PHOTOSYNTHESIS RESEARCH (2018)
Light-driven quinone reduction in heliobacterial membranes
Trevor S. Kashey et al.
PHOTOSYNTHESIS RESEARCH (2018)
The role of charge-transfer states in the spectral tuning of antenna complexes of purple bacteria
Michele Nottoli et al.
PHOTOSYNTHESIS RESEARCH (2018)
Primary processes in the bacterial reaction center probed by two-dimensional electronic spectroscopy
Andrew Niedringhaus et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2018)
Local protein solvation drives direct down-conversion in phycobiliprotein PC645 via incoherent vibronic transport
Samuel M. Blau et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2018)
Delocalized excitons in natural light-harvesting complexes
Seogjoo J. Jang et al.
REVIEWS OF MODERN PHYSICS (2018)
Fundamental Gaps of Condensed-Phase Organic Semiconductors from Single-Molecule Calculations using Polarization-Consistent Optimally Tuned Screened Range-Separated Hybrid Functionals
Srijana Bhandari et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)
Theoretical Model of Exciton States and Ultrafast Energy Transfer in Heliobacterial Type I Homodimeric Reaction Center
Akihiro Kimura et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2018)
Coupling to Charge Transfer States is the Key to Modulate the Optical Bands for Efficient Light Harvesting in Purple Bacteria
Lorenzo Cupellini et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)
Light Absorption and Energy Transfer in the Antenna Complexes of Photosynthetic Organisms
Tihana Mirkovic et al.
CHEMICAL REVIEWS (2017)
Quantum Chemical Studies of Light Harvesting
Carles Curutchet et al.
CHEMICAL REVIEWS (2017)
An Ab Initio Exciton Model Including Charge-Transfer Excited States
Xin Li et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Charge transfer in time-dependent density functional theory
Neepa T. Maitra
JOURNAL OF PHYSICS-CONDENSED MATTER (2017)
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
Narbe Mardirossian et al.
MOLECULAR PHYSICS (2017)
Quantum design of photosynthesis for bio-inspired solar-energy conversion
Elisabet Romero et al.
NATURE (2017)
Structure of a symmetric photosynthetic reaction center-photosystem
Christopher Gisriel et al.
SCIENCE (2017)
Charge-Transfer Excitations: A Challenge for Time-Dependent Density Functional Theory That Has Been Met
Stephan Kuemmel
ADVANCED ENERGY MATERIALS (2017)
Thermodynamics of the Electron Acceptors in Heliobacterium modesticaldum: An Exemplar of an Early Homodimeric Type I Photosynthetic Reaction Center
Bryan Ferlez et al.
BIOCHEMISTRY (2016)
An Ab Initio Description of the Excitonic Properties of LH2 and Their Temperature Dependence
Lorenzo Cupellini et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2016)
Tuned range separated hybrid functionals for solvated low bandgap oligomers
Thiago B. de Queiroz et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Theoretical Characterization of the Spectral Density of the Water-Soluble Chlorophyll-Binding Protein from Combined Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulations
Andreana M. Rosnik et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Menaquinone as the Secondary Electron Acceptor in the Type I Homodimeric Photosynthetic Reaction Center of Heliobacterium modesticaldum
Toni Kondo et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2015)
Limits and potentials of quantum chemical methods in modelling photosynthetic antennae
Sandro Jurinovich et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Solid-state optical absorption from optimally tuned time-dependent range-separated hybrid density functional theory
Sivan Refaely-Abramson et al.
PHYSICAL REVIEW B (2015)
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Yihan Shao et al.
MOLECULAR PHYSICS (2015)
Charge-transfer excitations in low-gap systems under the influence of solvation and conformational disorder: Exploring range-separation tuning
Thiago B. de Queiroz et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Theoretical Study on Excited States of Bacteriochlorophyll a in Solutions with Density Functional Assessment
Masahiro Higashi et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2014)
Using optimally tuned range separated hybrid functionals in ground-state calculations: Consequences and caveats
Andreas Karolewski et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Proton Displacements Coupled to Primary Electron Transfer in the Rhodobacter sphaeroides Reaction Center
Thomas J. Eisenmayer et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
Temporal and spectral characterization of the photosynthetic reaction center from Heliobacterium modesticaldum
Adrien Chauvet et al.
PHOTOSYNTHESIS RESEARCH (2013)
Understanding photosynthetic light-harvesting: a bottom up theoretical approach
Thomas Renger et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals
Leeor Kronik et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
GMCT: A Monte Carlo simulation package for macromolecular receptors
R. Thomas Ullmann et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Mechanism and Reaction Coordinate of Directional Charge Separation in Bacterial Reaction Centers
Thomas J. Eisenmayer et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)
Purification of the photosynthetic reaction center from Heliobacterium modesticaldum
Iosifina Sarrou et al.
PHOTOSYNTHESIS RESEARCH (2012)
Polarizable continuum model
Benedetta Mennucci
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)
Long-range corrected hybrid functionals for π-conjugated systems: Dependence of the range-separation parameter on conjugation length
Thomas Koerzdoerfer et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Charge-Transfer-Like π→π* Excitations in Time-Dependent Density Functional Theory: A Conundrum and Its Solution
Natalia Kuritz et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Density functional theory with London dispersion corrections
Stefan Grimme
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
Two Different Charge Separation Pathways in Photosystem II
Elisabet Romero et al.
BIOCHEMISTRY (2010)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
McVol - A program for calculating protein volumes and identifying cavities by a Monte Carlo algorithm
Mirco S. Till et al.
JOURNAL OF MOLECULAR MODELING (2010)
Independent initiation of primary electron transfer in the two branches of the photosystem I reaction center
Marc G. Mueller et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)
Quantum chemical excited state calculations on pigment-protein complexes require thorough geometry re-optimization of experimental crystal structures
Andreas Dreuw et al.
THEORETICAL CHEMISTRY ACCOUNTS (2010)
Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory
Tamar Stein et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Systematic optimization of long-range corrected hybrid density functionals
Jeng-Da Chai et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
A well-tempered density functional theory of electrons in molecules
Ester Livshits et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
Heliobacterial photosynthesis
Mark Heinnickel et al.
PHOTOSYNTHESIS RESEARCH (2007)
Type 1 reaction center of photosynthetic heliobacteria
Hirozo Oh-oka
PHOTOCHEMISTRY AND PHOTOBIOLOGY (2007)
Assessment of a long-range corrected hybrid functional
Oleg A. Vydrov et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
The architecture and function of the light-harvesting apparatus of purple bacteria:: from single molecules to in vivo membranes
Richard J. Cogdell et al.
QUARTERLY REVIEWS OF BIOPHYSICS (2006)
The first picoseconds in bacterial photosynthesis - Ultrafast electron transfer for the efficient conversion of light energy
W Zinth et al.
CHEMPHYSCHEM (2005)
Failure of time-dependent density functional theory for long-range charge-transfer excited states: The zincbacteriochlorin-bacterlochlorin and bacteriochlorophyll-spheroidene complexes
A Dreuw et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
T Yanai et al.
CHEMICAL PHYSICS LETTERS (2004)
The antenna reaction center complex of heliobacteria: composition, energy conversion and electron transfer
S Neerken et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS (2001)
A long-range correction scheme for generalized-gradient-approximation exchange functionals
H Iikura et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Pathways of energy transformation in antenna reaction center complexes of Heliobacillus mobilis
S Neerken et al.
BIOCHEMISTRY (2000)
Share Paper
