-
1
المصدر: The Journal of Physical Chemistry A. 119:1323-1331
مصطلحات موضوعية: Absorption spectroscopy, Chemistry, Relaxation (NMR), Dihedral angle, symbols.namesake, chemistry.chemical_compound, Stokes shift, Excited state, symbols, Physical and Theoretical Chemistry, BODIPY, Atomic physics, Ground state, Absorption (electromagnetic radiation)
-
2
المؤلفون: Andreas Dreuw, Philipp H. P. Harbach
المصدر: Modeling of Molecular Properties
مصطلحات موضوعية: Quantum chemical, Quantum biology, Chemistry, Excited state, Molecular systems, Atomic physics, Quantum chemistry
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::0a6ef26df72cf55a385e3f80597ae1cc
https://doi.org/10.1002/9783527636402.ch3 -
3
المؤلفون: Bernd Engels, Philipp H. P. Harbach, Andreas Dreuw, Wenlan Liu, Volker Settels, Reinhold F. Fink
المصدر: Journal of Computational Chemistry. 32:1971-1981
مصطلحات موضوعية: Computational Mathematics, Dipole, Chemistry, Excited state, Exciton, Intermolecular force, Density functional theory, General Chemistry, Atomic physics, Ground state, Potential energy, Scaling
-
4
المؤلفون: Andreas Dreuw, Philipp H. P. Harbach
المصدر: Chemical Physics. 377:78-85
مصطلحات موضوعية: Condensed Matter::Quantum Gases, Condensed matter physics, Condensed Matter::Other, Jahn–Teller effect, Exciton, Dimer, General Physics and Astronomy, Charge (physics), Chromophore, Condensed Matter::Mesoscopic Systems and Quantum Hall Effect, Molecular physics, Condensed Matter::Materials Science, Coupling (physics), chemistry.chemical_compound, chemistry, Electric field, Distortion, Condensed Matter::Strongly Correlated Electrons, Physical and Theoretical Chemistry
-
5
المصدر: The Journal of Physical Chemistry Letters. 1:2556-2560
مصطلحات موضوعية: Flavin adenine dinucleotide, chemistry.chemical_compound, Electron transfer, chemistry, Covalent bond, Dimer, General Materials Science, Physical and Theoretical Chemistry, Ground state, Photochemistry, Photolyase, DNA, Nucleobase
-
6
المؤلفون: Michael Wormit, Jan M. Mewes, Philipp H. P. Harbach, Andreas Dreuw
المصدر: Theoretical Chemistry Accounts. 125:419-426
مصطلحات موضوعية: Bond length, Physics::Biological Physics, Quantum biology, Electron transfer, Chemistry, Chemical physics, Excited state, Crystal structure, Physical and Theoretical Chemistry, Atomic physics, Energy minimization, Quantum, Excitation
-
7
المؤلفون: Michael Wormit, Jan M. Mewes, Sergiu Amarie, Josef Wachtveitl, Philipp H. P. Harbach, Andreas Dreuw
المصدر: Biochimica et Biophysica Acta (BBA) - Bioenergetics. 1787(6):738-746
مصطلحات موضوعية: Models, Molecular, Lutein, Free Radicals, Light-Harvesting Protein Complexes, Biophysics, Xanthophylls, Photochemistry, Purple bacteria, Models, Biological, Biochemistry, Light-harvesting complex, chemistry.chemical_compound, Carotenoid radical cation, Bacterial Proteins, Zeaxanthins, Proteobacteria, Time-dependent density functional theory, Quantum chemical calculation, Plant Proteins, biology, Non-photochemical quenching, food and beverages, Cell Biology, Cations, Monovalent, Plants, biology.organism_classification, Photochemical Processes, Carotenoids, Zeaxanthin, chemistry, Radical ion, Energy Transfer, Light harvesting complex, Neurosporene, Violaxanthin
-
8
المصدر: The journal of physical chemistry letters. 4(6)
مصطلحات موضوعية: Flavin adenine dinucleotide, biology, DNA repair, Intermolecular force, Pyrimidine dimer, Photochemistry, Cofactor, Nucleobase, chemistry.chemical_compound, chemistry, Covalent bond, biology.protein, General Materials Science, Physical and Theoretical Chemistry, Atomic physics, Photolyase
-
9
المؤلفون: Kristina D. Closser, Trilisa M. Perrine, Tamar Stein, Vitaly A. Rassolov, Roberto Peverati, Alexander Prociuk, William A. Goddard, Barry D. Dunietz, Henry F. Schaefer, Ilya Kaliman, Sina Yeganeh, Martin Head-Gordon, Ben Albrecht, Mark A. Watson, Donald G. Truhlar, Joseph E. Subotnik, Dmytro Kosenkov, Andreas Klamt, Andrew Behn, Caroline M. Krauter, Zhengting Gan, Jia Deng, Bernard R. Brooks, Darragh P. O’Neill, Yan Zhao, David Casanova, Arieh Warshel, Christopher J. Cramer, John M. Herbert, Richard G. Edgar, Yu-Chuan Su, Simon A. Maurer, Andrew T. B. Gilbert, Joseph Gomes, C. David Sherrill, Eric Neuscamman, Michael Wormit, Ethan Alguire, Ryan P. Steele, Yousung Jung, David W. Small, Keith V. Lawler, Eric J. Sundstrom, Tao Wang, Edward G. Hohenstein, Jae-Hoon Kim, Phil Klunzinger, Andreas Dreuw, Paul R. Horn, Alexander J. Sodt, Dirk R. Rehn, Tomasz Kuś, Shaama Mallikarjun Sharada, Ryan M. Richard, Xing Zhang, Roberto Olivares-Amaya, Jan Wenzel, Chao-Ping Hsu, David Stück, Joerg Kussmann, Brian J. Austin, Andreas W. Hauser, Narbe Mardirossian, Leslie Vogt, Debashree Ghosh, Emil Proynov, John Parkhill, Ksenia B. Bravaya, Magnus W. D. Hanson-Heine, Alán Aspuru-Guzik, Young Min Rhee, Zhi-Qiang You, WanZhen Liang, Arie Landau, An Ghysels, Rollin A. King, Jie Liu, Hainam Do, Deborah L. Crittenden, Kirill Khistyaev, Peter Gill, Thomas R. Furlani, Daniel S. Lambrecht, Oleg A. Vydrov, Sandeep Sharma, Lyudmila V. Slipchenko, Shervin Fatehi, Kai Brandhorst, Fenglai Liu, Christopher F. Williams, Yves A. Bernard, Jihan Kim, Laszlo Fusti-Molnar, Shane R. Yost, Xintian Feng, Evgeny Epifanovsky, Troy Van Voorhis, Philipp H. P. Harbach, Alec F. White, Shawn T. Brown, Alex J. W. Thom, Xin Xu, Eric J. Berquist, Rohini C. Lochan, Alexis T. Bell, Thomas-C. Jagau, Adèle D. Laurent, Ester Livshits, Jun Yang, Michael W. Schmidt, H. Lee Woodcock, Steven R. Gwaltney, Roi Baer, Garnet Kin-Lic Chan, Dmitry Zuev, Zachary C. Holden, Vitalii Vanovschi, Takashi Tsuchimochi, Nicholas J. Russ, Aleksandr V. Marenich, Adrian W. Lange, Yihan Shao, C. Melania Oana, Anthony D. Dutoi, Robert A. DiStasio, Leif D. Jacobson, Jing Kong, Yunqing Chen, Michael Diedenhofen, Anna Golubeva-Zadorozhnaya, Mary A. Rohrdanz, Warren J. Hehre, Arne Luenser, Prashant Uday Manohar, Ka Un Lao, Nicholas J. Mayhall, Rustam Z. Khaliullin, Edina Rosta, Samuel F. Manzer, Tim Kowalczyk, Sergey V. Levchenko, Nicholas A. Besley, Benjamin Kaduk, Shan-Ping Mao, Matthew Goldey, Daniel M. Chipman, Anna I. Krylov, Mark S. Gordon, Igor Ying Zhang, Jeng-Da Chai, Siu Hung Chien, Hyunjun Ji, Gregory J. O. Beran, Ching Yeh Lin, Paul M. Zimmerman, Christian Ochsenfeld, Chun-Min Chang
المساهمون: Institut für Physikalische Chemie, Universität Mainz, Department of Chemistry [Berkeley], University of California [Berkeley], University of California-University of California, China Earthquake Networks Center, China Earthquake Administration (CEA), University of Minnesota System, Department of Chemistry, Supercomputing Institute, and Chemical Theory Center, University of Minnesota [Twin Cities] (UMN), University of Minnesota System-University of Minnesota System, COSMOlogic GmbH & Co KG, Institute of Physical and Theoretical Chemistry, Universität Regensburg (UR), Department of Chemistry, Minnesota Supercomputing Institute, and Chemical Theory Center, Franche-Comté Électronique Mécanique, Thermique et Optique - Sciences et Technologies (UMR 6174) (FEMTO-ST), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS), University of Frankfurt, Department of Mathematics [Shanghai], Shanghai Jiao Tong University [Shanghai], Chemistry, Ludwig-Maximilians-Universität München (LMU), Eberhard Karls Universität Tübingen = Eberhard Karls University of Tuebingen, Chaire Sciences des Systèmes et Défis Energétiques EDF/ECP/Supélec (SSEC), Ecole Centrale Paris-Ecole Supérieure d'Electricité - SUPELEC (FRANCE)-CentraleSupélec-EDF R&D (EDF R&D), EDF (EDF)-EDF (EDF), Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology (KAIST), Chimie Et Interdisciplinarité : Synthèse, Analyse, Modélisation (CEISAM), Université de Nantes - UFR des Sciences et des Techniques (UN UFR ST), Université de Nantes (UN)-Université de Nantes (UN)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), University of California [Berkeley] (UC Berkeley), University of California (UC)-University of California (UC), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC), Université de Nantes (UN)-Université de Nantes (UN)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
المصدر: Molecular Physics
Molecular Physics, Taylor & Francis, 2015, 113 (2), pp.184-215. ⟨10.1080/00268976.2014.952696⟩
Molecular Physics, 2015, 113 (2), pp.184-215. ⟨10.1080/00268976.2014.952696⟩مصطلحات موضوعية: Physics, electronic structure theory, Orbital-free density functional theory, software, Implicit solvation, Intermolecular force, computational modelling, Biophysics, electron correlation, Condensed Matter Physics, Quantum chemistry, quantum chemistry, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Coupled cluster, Atomic orbital, Quantum mechanics, Excited state, Density functional theory, Statistical physics, Physical and Theoretical Chemistry, Q-Chem, Molecular Biology, density functional theory
-
10
المؤلفون: Philipp H. P. Harbach, Yevgeniy Nosenko, Andreas Dreuw, Christoph Riehn, Maksim Kunitski, Bernhard Brutschy
المصدر: Physical chemistry chemical physics : PCCP. 12(4)
مصطلحات موضوعية: Photons, Time Factors, Spectrophotometry, Infrared, Chemistry, Adenine, Analytical chemistry, General Physics and Astronomy, Infrared spectroscopy, Water, Hydrogen Bonding, Photoionization, equipment and supplies, Photochemistry, Vibration, Dissociation (chemistry), Ion, Fragmentation (mass spectrometry), Excited state, Ionization, Molecule, Quantum Theory, Physical and Theoretical Chemistry
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3fc8f5fcc652076f1cd487665adb1288
https://pubmed.ncbi.nlm.nih.gov/20066371