Register      Login
Australian Journal of Chemistry Australian Journal of Chemistry Society
An international journal for chemical science

Articles citing this paper

Computational Photobiology and Beyond

Igor Schapiro A , Mikhail N. Ryazantsev A , Wan Jian Ding A , Mark M. Huntress A , Federico Melaccio B , Tadeusz Andruniow C and Massimo Olivucci A B D
+ Author Affiliations
- Author Affiliations

A Chemistry Department, Bowling Green State University, Ohio, OH 43403, USA.

B Dipartimento di Chimica, Università di Siena, Italy.

C Quantum Chemistry and Molecular Modeling Lab, Institute of Physical and Theoretical Chemistry, Wroclaw University of Technology, 50-370 Wroclaw, Poland.

D Corresponding author. Email: olivucci@unisi.it

Australian Journal of Chemistry 63(3) 413-429 https://doi.org/10.1071/CH09563
Submitted: 21 October 2009  Accepted: 28 January 2010   Published: 26 March 2010



36 articles found in Crossref database.

Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational Photobiology
Melaccio Federico, del Carmen Marín María, Valentini Alessio, Montisci Fabio, Rinaldi Silvia, Cherubini Marco, Yang Xuchun, Kato Yoshitaka, Stenrup Michael, Orozco-Gonzalez Yoelvis, Ferré Nicolas, Luk Hoi Ling, Kandori Hideki, Olivucci Massimo
Journal of Chemical Theory and Computation. 2016 12(12). p.6020
New Perspectives on an Old Issue: A Comparative MS‐CASPT2 and OM2‐MRCI Study of Polyenes and Protonated Schiff Bases
Dokukina Irina, Marian Christel M., Weingart Oliver
Photochemistry and Photobiology. 2017 93(6). p.1345
Is the choice of a standard zeroth‐order hamiltonian in CASPT2 ansatz optimal in calculations of excitation energies in protonated and unprotonated schiff bases of retinal?
Wolański Łukasz, Grabarek Dawid, Andruniów Tadeusz
Journal of Computational Chemistry. 2018 39(20). p.1470
Biomolecular Simulations (2013)
Steinbrecher Thomas, Elstner Marcus
Biomolecular Simulations (2013)
Johansson Mikael P., Kaila Ville R. I., Sundholm Dage
Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection
Gozem Samer, Melaccio Federico, Valentini Alessio, Filatov Michael, Huix-Rotllant Miquel, Ferré Nicolas, Frutos Luis Manuel, Angeli Celestino, Krylov Anna I., Granovsky Alexander A., Lindh Roland, Olivucci Massimo
Journal of Chemical Theory and Computation. 2014 10(8). p.3074
Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States
Brunk Elizabeth, Rothlisberger Ursula
Chemical Reviews. 2015 115(12). p.6217
Excited-State Decay Pathways of Flavin Molecules in Five Redox Forms: The Role of Conical Intersections
Ai Yuejie, Zhao Chaofeng, Xing Jinlu, Liu Yang, Wang Zhangxia, Jin Jiaren, Xia Shuhua, Cui Ganglong, Wang Xiangke
The Journal of Physical Chemistry A. 2018 122(40). p.7954
Excited State Dynamics of the Green Fluorescent Protein on the Nanosecond Time Scale
Jonasson Gabriella, Teuler Jean-Marie, Vallverdu Germain, Mérola Fabienne, Ridard Jacqueline, Lévy Bernard, Demachy Isabelle
Journal of Chemical Theory and Computation. 2011 7(6). p.1990
Analysis of computational models for an accurate study of electronic excitations in GFP
Schwabe Tobias, Beerepoot Maarten T. P., Olsen Jógvan Magnus Haugaard, Kongsted Jacob
Physical Chemistry Chemical Physics. 2015 17(4). p.2582
Assessment of MC-PDFT Excitation Energies for a Set of QM/MM Models of Rhodopsins
Marín María del Carmen, De Vico Luca, Dong Sijia S., Gagliardi Laura, Truhlar Donald G., Olivucci Massimo
Journal of Chemical Theory and Computation. 2019 15(3). p.1915
Assessing the Accuracy of Various Ab Initio Methods for Geometries and Excitation Energies of Retinal Chromophore Minimal Model by Comparison with CASPT3 Results
Grabarek Dawid, Walczak Elżbieta, Andruniów Tadeusz
Journal of Chemical Theory and Computation. 2016 12(5). p.2346
A voltage-dependent fluorescent indicator for optogenetic applications, archaerhodopsin-3: Structure and optical properties from in silico modeling
Nikolaev Dmitrii M., Emelyanov Anton, Boitsov Vitaly M., Panov Maxim S, Ryazantsev Mikhail N.
F1000Research. 2017 6 p.33
Using the computer to understand the chemistry of conical intersections
Schapiro Igor, Melaccio Federico, Laricheva Elena N., Olivucci Massimo
Photochemical & Photobiological Sciences. 2011 10(6). p.867
Color Tuning in Rhodopsins: The Origin of the Spectral Shift between the Chloride-Bound and Anion-Free Forms of Halorhodopsin
Ryazantsev Mikhail N., Altun Ahmet, Morokuma Keiji
Journal of the American Chemical Society. 2012 134(12). p.5520
Multiconfiguration second‐order perturbation theory approach to strong electron correlation in chemistry and photochemistry
Roca‐Sanjuán Daniel, Aquilante Francesco, Lindh Roland
WIREs Computational Molecular Science. 2012 2(4). p.585
(2014)
Robb Michael A.
A Comparative Study of Modern Homology Modeling Algorithms for Rhodopsin Structure Prediction
Nikolaev Dmitrii M., Shtyrov Andrey A., Panov Maxim S., Jamal Adeel, Chakchir Oleg B., Kochemirovsky Vladimir A., Olivucci Massimo, Ryazantsev Mikhail N.
ACS Omega. 2018 3(7). p.7555
A Conical Intersection Controls the Deactivation of the Bacterial Luciferase Fluorophore
Gozem Samer, Mirzakulova Ekaterina, Schapiro Igor, Melaccio Federico, Glusac Ksenija D., Olivucci Massimo
Angewandte Chemie International Edition. 2014 53(37). p.9870
Valence-bond non-equilibrium solvation model for a twisting monomethine cyanine
McConnell Sean, McKenzie Ross H., Olsen Seth
The Journal of Chemical Physics. 2015 142(8).
Locally-Excited (LE) versus Charge-Transfer (CT) Excited State Competition in a Series of Para-Substituted Neutral Green Fluorescent Protein (GFP) Chromophore Models
Olsen Seth
The Journal of Physical Chemistry B. 2015 119(6). p.2566
Theoretical Chemistry for Electronic Excited States (2018)
A voltage-dependent fluorescent indicator for optogenetic applications, archaerhodopsin-3: Structure and optical properties from in silico modeling
Nikolaev Dmitrii M., Emelyanov Anton, Boitsov Vitaly M., Panov Maxim S, Ryazantsev Mikhail N.
F1000Research. 2017 6 p.33
A Conical Intersection Controls the Deactivation of the Bacterial Luciferase Fluorophore
Gozem Samer, Mirzakulova Ekaterina, Schapiro Igor, Melaccio Federico, Glusac Ksenija D., Olivucci Massimo
Angewandte Chemie. 2014 126(37). p.10028
QM/MM Investigation of the Spectroscopic Properties of the Fluorophore of Bacterial Luciferase
Giuliani Germano, Melaccio Federico, Gozem Samer, Cappelli Andrea, Olivucci Massimo
Journal of Chemical Theory and Computation. 2021 17(2). p.605
Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model
Gozem Samer, Huntress Mark, Schapiro Igor, Lindh Roland, Granovsky Alexander A., Angeli Celestino, Olivucci Massimo
Journal of Chemical Theory and Computation. 2012 8(11). p.4069
An assessment of water placement algorithms in quantum mechanics/molecular mechanics modeling: the case of rhodopsins’ first spectral absorption band maxima
Nikolaev Dmitrii M., Shtyrov Andrey A., Mereshchenko Andrey S., Panov Maxim S., Tveryanovich Yuri S., Ryazantsev Mikhail N.
Physical Chemistry Chemical Physics. 2020 22(32). p.18114
Assessing the Performances of CASPT2 and NEVPT2 for Vertical Excitation Energies
Sarkar Rudraditya, Loos Pierre-François, Boggio-Pasqua Martial, Jacquemin Denis
Journal of Chemical Theory and Computation. 2022 18(4). p.2418
A voltage-dependent fluorescent indicator for optogenetic applications, archaerhodopsin-3: Structure and optical properties from in silico modeling
Nikolaev Dmitrii M., Emelyanov Anton, Boitsov Vitaly M., Panov Maxim S, Ryazantsev Mikhail N.
F1000Research. 2017 6 p.33
Impacts of retinal polyene (de)methylation on the photoisomerization mechanism and photon energy storage of rhodopsin
Walczak Elżbieta, Andruniów Tadeusz
Physical Chemistry Chemical Physics. 2015 17(26). p.17169
A perspective on the CASPT2 method
Pulay Peter
International Journal of Quantum Chemistry. 2011 111(13). p.3273
Progress in Photon Science (2019)
Nikolaev Dmitrii M., Panov Maxim S., Shtyrov Andrey A., Boitsov Vitaly M., Vyazmin Sergey Yu., Chakchir Oleg B., Yakovlev Igor P., Ryazantsev Mikhail N.
CASPT2, CASSCF and non-adiabatic molecular dynamics (NAMD) studies on the low-lying electronic states of 1H-1,2,3-triazole photolysis
Gil Eduarda Sangiogo, de Araújo Bruno Bercini, Gonçalves Paulo F. B.
Physical Chemistry Chemical Physics. 2019 21(46). p.25809
Organic spectroscopy under Björn O. Roos
Serrano‐Andrés Luis
International Journal of Quantum Chemistry. 2011 111(13). p.3284
Progress and Challenges in the Calculation of Electronic Excited States
González Leticia, Escudero Daniel, Serrano‐Andrés Luis
ChemPhysChem. 2012 13(1). p.28
Canonical-ensemble state-averaged complete active space self-consistent field (SA-CASSCF) strategy for problems with more diabatic than adiabatic states: Charge-bond resonance in monomethine cyanines
Olsen Seth
The Journal of Chemical Physics. 2015 142(4).

Committee on Publication Ethics


Abstract Export Citation Get Permission