Andreas Dreuw (A Dreuw)

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 91

Top Venues

Journal of chemical theory and computation

The Journal of chemical physics

Chemistry (Weinheim an der Bergstrasse, Germany)

The journal of physical chemistry. A

Ruprecht Karls Universität Heidelberg (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

Ruprecht Karls Universität Heidelberg

Germany

PHD :: Theoretical Chemistry

Publications

Stefan Germer, Marco Bauer, Olaf Hübner, Andreas Dreuw, Hans-Jörg Himmel
Aggregation of N-Heteropolycyclic Aromatic Molecules: The Acridine Dimer and Trimer. Chemistry (Weinheim an der Bergstrasse, Germany) (2024)
Jonas Leitner, Adrian L Dempwolff, Andreas Dreuw
Fourth-Order Algebraic Diagrammatic Construction for Electron Detachment and Attachment: The IP- and EA-ADC(4) Methods. The journal of physical chemistry. A (2024)
Stefan Germer, Marco Bauer, Olaf Hübner, Andreas Dreuw, Hans-Jörg Himmel
Aggregation of N-Heteropolycyclic Aromatic Molecules: The Acridine Dimer and Trimer. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (44) (2024)
Andreas Dreuw, Petra Tegeder
Influence of N-introduction on the electronic structure and properties of polyacenes: experiment and quantum chemistry in concert. Physical chemistry chemical physics : PCCP (2023)
Andreas Dreuw, Antonia Papapostolou, Adrian L Dempwolff
Algebraic Diagrammatic Construction Schemes Employing the Intermediate State Formalism: Theory, Capabilities, and Interpretation. The journal of physical chemistry. A (2023)
Tobias Kaczun, Adrian L Dempwolff, Xiang Huang, Maxim F Gelin, Wolfgang Domcke, Andreas Dreuw
Tuning UV Pump X-ray Probe Spectroscopy on the Nitrogen K Edge Reveals the Radiationless Relaxation of Pyrazine: Ab Initio Simulations Using the Quasiclassical Doorway-Window Approximation. The journal of physical chemistry letters (2023)
Oskar Kefer, Lukas Ahrens, Jie Han, Nikolaus Wollscheid, Erik Misselwitz, Frank Rominger, Jan Freudenberg, Andreas Dreuw, Uwe H F Bunz, Tiago Buckup
Efficient Intramolecular Singlet Fission in Spiro-Linked Heterodimers. Journal of the American Chemical Society (2023)
Manuel Brand, Andreas Dreuw, Patrick Norman, Xin Li
Efficient and Parallel Implementation of Real and Complex Response Functions Employing the Second-Order Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator. Journal of chemical theory and computation 20 (1) (2023)
Manuel Brand, Andreas Dreuw, Patrick Norman, Xin Li
Efficient and Parallel Implementation of Real and Complex Response Functions Employing the Second-Order Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator. Journal of chemical theory and computation (2023)
Friederike Schneider, Antonia Papapostolou, Jonas Leitner, Dirk R Rehn, Andreas Dreuw
Cotton-Mouton Effect Using Algebraic Diagrammatic Construction Schemes in the Intermediate State Representation Formalism. The journal of physical chemistry. A (2023)
Adem Halil Kulahlioglu, Andreas Dreuw
The Multistate Quantum Monte Carlo Algebraic Diagrammatic Construction Method. The journal of physical chemistry. A (2023)
Luca Craciunescu, Maximilian Asbach, Sara Wirsing, Sebastian Hammer, Frederik Unger, Katharina Broch, Frank Schreiber, Gregor Witte, Andreas Dreuw, Petra Tegeder, Felipe Fantuzzi, Bernd Engels
Cluster-Based Approach Utilizing Optimally Tuned TD-DFT to Calculate Absorption Spectra of Organic Semiconductor Thin Films. Journal of chemical theory and computation (2023)
Manuel Brand, Andreas Dreuw, Patrick Norman, Xin Li
Efficient and Parallel Implementation of Real and Complex Response Functions Employing the Second-Order Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator. Journal of chemical theory and computation 20 (1) (2023)
Antonia Papapostolou, Maximilian Scheurer, Andreas Dreuw, Dirk R Rehn
responsefun: Fun with Response Functions in the Algebraic Diagrammatic Construction Framework. Journal of chemical theory and computation (2023)
M A Ambroise, F Sacchetta, Daniel Graf, Christian Ochsenfeld, Andreas Dreuw
Scaled opposite-spin atomic-orbital based algebraic diagrammatic construction scheme for the polarization propagator with asymptotic linear-scaling effort: Theory and implementation. The Journal of chemical physics 158 (12) (2023)
Marco Bauer, Andreas Dreuw
Perturbation theoretical approaches to strong light-matter coupling in ground and excited electronic states for the description of molecular polaritons. The Journal of chemical physics 158 (12) (2023)
Zhu Wu, Nikolai Hippchen, Jie Han, Lei Ji, Alexandra Friedrich, Ivo Krummenacher, Holger Braunschweig, Johannes Krebs, Michael Moos, Philipp Biegger, Olena Tverskoy, Steffen Maier, Christoph Lambert, Andreas Dreuw, Todd B Marder, Jan Freudenberg, Uwe H F Bunz
The Radical Anion and Dianion of Benzo[3,4]cyclobuta[1,2- b ]phenazine. The Journal of organic chemistry 88 (5) (2023)
Zhu Wu, Nikolai Hippchen, Jie Han, Lei Ji, Alexandra Friedrich, Ivo Krummenacher, Holger Braunschweig, Johannes Krebs, Michael Moos, Philipp Biegger, Olena Tverskoy, Steffen Maier, Christoph Lambert, Andreas Dreuw, Todd B Marder, Jan Freudenberg, Uwe H F Bunz
The Radical Anion and Dianion of Benzo[3,4]cyclobuta[1,2- b ]phenazine. The Journal of organic chemistry (2023)
Maximilian Scheurer, Antonia Papapostolou, Thomas Fransson, Patrick Norman, Andreas Dreuw, Dirk R Rehn
Solving response expressions in the ADC/ISR framework. The Journal of chemical physics 158 (8) (2023)
Rouven Maier, Marco Bauer, Andreas Dreuw
Consistent third-order one-particle transition and excited-state properties within the algebraic-diagrammatic construction scheme for the polarization propagator. The Journal of chemical physics 159 (1) (2023)
Manuel Brand, Andreas Dreuw, Patrick Norman, Xin Li
Efficient and Parallel Implementation of Real and Complex Response Functions Employing the Second-Order Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator. Journal of chemical theory and computation 20 (1) (2023)
Adem Halil Kulahlioglu, Andreas Dreuw
The Multistate Quantum Monte Carlo Algebraic Diagrammatic Construction Method. The journal of physical chemistry. A 127 (9) (2023)
Nico Zeitter, Nikolai Hippchen, Steffen Maier, Frank Rominger, Andreas Dreuw, Jan Freudenberg, Uwe H F Bunz
Persistent Ambipolar Heptacenes and Their Redox Species. Angewandte Chemie (International ed. in English) 61 (26) (2022)
Luca Craciunescu, Sara Wirsing, Sebastian Hammer, Katharina Broch, Andreas Dreuw, Felipe Fantuzzi, Vipilan Sivanesan, Petra Tegeder, Bernd Engels
Accurate Polarization-Resolved Absorption Spectra of Organic Semiconductor Thin Films Using First-Principles Quantum-Chemical Methods: Pentacene as a Case Study. The journal of physical chemistry letters 13 (16) (2022)
Daniil A Fedotov, Mikael Scott, Maximilian Scheurer, Dirk R Rehn, Andreas Dreuw, Sonia Coriani
Magnetic circular dichroism within the algebraic diagrammatic construction scheme of the polarization propagator up to third order. The Journal of chemical physics 157 (17) (2022)
Chahinez Abdellaoui, Volker Hermanns, Matiss Reinfelds, Maximilian Scheurer, Andreas Dreuw, Alexander Heckel, Josef Wachtveitl
A long-lived fluorenyl cation: efficiency booster for uncaging and photobase properties. Physical chemistry chemical physics : PCCP 24 (9) (2022)
Andreas Dreuw, Thomas Fransson
Using core-hole reference states for calculating X-ray photoelectron and emission spectra. Physical chemistry chemical physics : PCCP 24 (18) (2022)
Thomas Wiesner, Zhu Wu, Jie Han, Lei Ji, Alexandra Friedrich, Ivo Krummenacher, Michael Moos, Christoph Lambert, Holger Braunschweig, Benjamin Rudin, Hilmar Reiss, Olena Tverskoy, Frank Rominger, Andreas Dreuw, Todd B Marder, Jan Freudenberg, Uwe H F Bunz
The Radical Anion, Dianion and Electron Transport Properties of Tetraiodotetraazapentacene. Chemistry (Weinheim an der Bergstrasse, Germany) (2022)
Michael Rogo Opata, Andreas Dreuw
Embelin's Versatile Photochemistry Makes It a Potent Photosensitizer for Photodynamic Therapy. The journal of physical chemistry. B 125 (14) (2021)
Nils Schieschke, Beatrix M Bold, Philipp M Dohmen, Daniel Wehl, Marvin Hoffmann, Andreas Dreuw, Marcus Elstner, Sebastian Höfener
Geometry dependence of excitonic couplings and the consequences for configuration-space sampling. Journal of computational chemistry 42 (20) (2021)
Adrian L Dempwolff, Alexandra M Belogolova, Alexander B Trofimov, Andreas Dreuw
Intermediate state representation approach to physical properties of molecular electron-attached states: Theory, implementation, and benchmarking. The Journal of chemical physics 154 (10) (2021)
Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick, Jiyoung Lee, Asem Alenaizan, Taylor A Barnes, Carlos H Borca, Roberto Di Remigio, David L Dotson, Sebastian Ehlert, Alexander G Heide, Michael F Herbst, Jan Hermann, Colton B Hicks, Joshua T Horton, Adrian G Hurtado, Peter Kraus, Holger Kruse, Sebastian J R Lee, Jonathon P Misiewicz, Levi N Naden, Farhad Ramezanghorbani, Maximilian Scheurer, Jeffrey B Schriber, Andrew C Simmonett, Johannes Steinmetzer, Jeffrey R Wagner, Logan Ward, Matthew Welborn, Doaa Altarawy, Jamshed Anwar, John D Chodera, Andreas Dreuw, Heather J Kulik, Fang Liu, Todd J Martinez, Devin A Matthews, Henry F Schaefer, Jiřı Šponer, Justin M Turney, Lee-Ping Wang, Nuwan De Silva, Rollin A King, John F Stanton, Mark S Gordon, Theresa L Windus, C David Sherrill, Lori A Burns
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs. The Journal of chemical physics 155 (20) (2021)
Adrian L Dempwolff, Alexandra M Belogolova, Thomas Sommerfeld, Alexander B Trofimov, Andreas Dreuw
CAP/EA-ADC method for metastable anions: Computational aspects and application to π* resonances of norbornadiene and 1,4-cyclohexadiene. The Journal of chemical physics 155 (5) (2021)
Reena Sen, Cristina E González-Espinoza, Alexander Zech, Andreas Dreuw, Tomasz Adam Wesołowski
Benchmark of the Extension of Frozen-Density Embedding Theory to Nonvariational Correlated Methods: The Embedded-MP2 Case. Journal of chemical theory and computation 17 (7) (2021)
Tom Bettens, Jochen Eeckhoudt, Marvin Hoffmann, Mercedes Alonso, Paul Geerlings, Andreas Dreuw, Frank de Proft
Designing Force Probes Based on Reversible 6π-Electrocyclizations in Polyenes Using Quantum Chemical Calculations. The Journal of organic chemistry 86 (11) (2021)
Maximilian Scheurer, Peter Reinholdt, Jógvan Magnus Haugaard Olsen, Andreas Dreuw, Jacob Kongsted
Efficient Open-Source Implementations of Linear-Scaling Polarizable Embedding: Use Octrees to Save the Trees. Journal of chemical theory and computation 17 (6) (2021)
Siyang He, Maria Stratigaki, Silvia P Centeno, Andreas Dreuw, Robert Göstl
Tailoring the Properties of Optical Force Probes for Polymer Mechanochemistry. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (64) (2021)
Lukas Ahrens, Nikolaus Wollscheid, Jie Han, Oskar Kefer, Frank Rominger, Ashkan Roozbeh, Jan Freudenberg, Andreas Dreuw, Uwe H F Bunz, Tiago Buckup
Structure Set in Stone: Designing Rigid Linkers to Control the Efficiency of Intramolecular Singlet Fission. The journal of physical chemistry. B 125 (48) (2021)
Marvin Hoffmann, Andreas Dreuw
Deciphering excited state properties utilizing algebraic diagrammatic construction schemes of decreasing order. Journal of computational chemistry 42 (11) (2021)
Mikael Scott, Dirk R Rehn, Patrick Norman, Andreas Dreuw
Ab Initio Excited-State Electronic Circular Dichroism Spectra Exploiting the Third-Order Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator. The journal of physical chemistry letters 12 (21) (2021)
Siyang He, Maria Stratigaki, Silvia P Centeno, Andreas Dreuw, Robert Göstl
Tailoring the Properties of Optical Force Probes for Polymer Mechanochemistry. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (64) (2021)
Thomas Fransson, Iulia Emilia Brumboiu, Marta L Vidal, Patrick Norman, Sonia Coriani, Andreas Dreuw
XABOOM: An X-ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s → π* Transitions. Journal of chemical theory and computation 17 (3) (2021)
Tom Bettens, Marvin Hoffmann, Mercedes Alonso, Paul Geerlings, Andreas Dreuw, Frank de Proft
Mechanochemically Triggered Topology Changes in Expanded Porphyrins. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (10) (2021)
Volker Hermanns, Maximilian Scheurer, Nils Frederik Kersten, Chahinez Abdellaoui, Josef Wachtveitl, Andreas Dreuw, Alexander Heckel
Rethinking Uncaging: A New Antiaromatic Photocage Driven by a Gain of Resonance Energy. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (56) (2021)
Adrian L Dempwolff, Alexander C Paul, Alexandra M Belogolova, Alexander B Trofimov, Andreas Dreuw
Intermediate state representation approach to physical properties of molecular electron-detached states. I. Theory and implementation. The Journal of chemical physics 152 (2) (2020)
Nicolò Alagna, Jose Luis Pérez Lustres, Ashkan Roozbeh, Jie Han, Sebastian Hahn, Felix J Berger, Jana Zaumseil, Andreas Dreuw, Uwe H F Bunz, Tiago Buckup
Ultrafast Singlet Fission in Rigid Azaarene Dimers with Negligible Orbital Overlap. The journal of physical chemistry. B 124 (41) (2020)
Maximilian Scheurer, Andreas Dreuw, Evgeny Epifanovsky, Martin Head-Gordon, Tim Stauch
Modeling Molecules under Pressure with Gaussian Potentials. Journal of chemical theory and computation 17 (1) (2020)
Jie Han, Dirk Robert Rehn, Tiago Buckup, Andreas Dreuw
Evaluation of Single-Reference DFT-Based Approaches for the Calculation of Spectroscopic Signatures of Excited States Involved in Singlet Fission. The journal of physical chemistry. A 124 (41) (2020)
Maximilian Scheurer, Andreas Dreuw, Martin Head-Gordon, Tim Stauch
The rupture mechanism of rubredoxin is more complex than previously thought. Chemical science 11 (23) (2020)
Till Jahnke, Uwe Hergerhahn, Bernd Winter, Reinhard Dörner, Ulrike Frühling, Philipp V Demekhin, Kirill Gokhberg, Lorenz S Cederbaum, Arno Ehresmann, André Knie, Andreas Dreuw
Interatomic and Intermolecular Coulombic Decay. Chemical reviews 120 (20) (2020)
Kevin Baumgärtner, Marvin Hoffmann, Frank Rominger, Sven M Elbert, Andreas Dreuw, Michael Mastalerz
Homoconjugation and Intramolecular Charge Transfer in Extended Aromatic Triptycenes with Different π-Planes. The Journal of organic chemistry 85 (23) (2020)
Nanna Holmgaard List, Adrian L Dempwolff, Andreas Dreuw, Patrick Norman, Todd J Martinez
Probing competing relaxation pathways in malonaldehyde with transient X-ray absorption spectroscopy. Chemical science 11 (16) (2020)
Sebastian N Intorp, Manuel Hodecker, Matthias Müller, Olena Tverskoy, Marco Rosenkranz, Evgenia Dmitrieva, Alexey A Popov, Frank Rominger, Jan Freudenberg, Andreas Dreuw, Uwe H F Bunz
Quinoidal Azaacenes: 99 % Diradical Character. Angewandte Chemie (International ed. in English) 59 (30) (2020)
Manuel Hodecker, Yury Kozhemyakin, Svenja Weigold, Frank Rominger, Jan Freudenberg, Andreas Dreuw, Uwe H F Bunz
A Doubly Bridged Bis(phenylethynyl)benzene: Different from a Twisted Tolan. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (71) (2020)
Manuel Hodecker, Sebastian M Thielen, Junzi Liu, Dirk R Rehn, Andreas Dreuw
Third-Order Unitary Coupled Cluster (UCC3) for Excited Electronic States: Efficient Implementation and Benchmarking. Journal of chemical theory and computation 16 (6) (2020)
Adrian L Dempwolff, Alexander C Paul, Alexandra M Belogolova, Alexander B Trofimov, Andreas Dreuw
Intermediate state representation approach to physical properties of molecular electron-detached states. II. Benchmarking. The Journal of chemical physics 152 (2) (2020)
Adrian L Dempwolff, Matthias Schneider, Manuel Hodecker, Andreas Dreuw
Efficient implementation of the non-Dyson third-order algebraic diagrammatic construction approximation for the electron propagator for closed- and open-shell molecules. The Journal of chemical physics 150 (6) (2019)
Ignacio Fdez Galván, Morgane Vacher, Ali Alavi, Celestino Angeli, Francesco Aquilante, Jochen Autschbach, Jie J Bao, Sergey I Bokarev, Nikolay A Bogdanov, Rebecca K Carlson, Liviu F Chibotaru, Joel Creutzberg, Nike Dattani, Mickaël G Delcey, Sijia S Dong, Andreas Dreuw, Leon Freitag, Luis Manuel Frutos, Soumen Ghosh, Frédéric Gendron, Angelo Giussani, Leticia González, Gilbert Grell, Meiyuan Guo, Chad E Hoyer, Marcus Johansson, Sebastian Keller, Stefan Knecht, Goran Kovačević, Erik Källman, Giovanni Li Manni, Marcus Lundberg, Yingjin Ma, Sebastian Mai, João Pedro Malhado, Per Åke Malmqvist, Philipp Marquetand, Stefanie A Mewes, Jesper Norell, Massimo Olivucci, Markus Oppel, Quan Manh Phung, Kristine Pierloot, Felix Plasser, Markus Reiher, Andrew M Sand, Igor Schapiro, Prachi Sharma, Christopher J Stein, Lasse Kragh Sørensen, Donald G Truhlar, Mihkel Ugandi, Liviu Ungur, Alessio Valentini, Steven Vancoillie, Valera Veryazov, Oskar Weser, Tomasz Adam Wesołowski, Per-Olof Widmark, Sebastian Wouters, Alexander Zech, J Patrick Zobel, Roland Lindh
OpenMolcas: From Source Code to Insight. Journal of chemical theory and computation 15 (11) (2019)
Malte Leverenz, Christian Merten, Andreas Dreuw, Thorsten Bach
Lewis Acid Catalyzed Enantioselective Photochemical Rearrangements on the Singlet Potential Energy Surface. Journal of the American Chemical Society 141 (51) (2019)
Alexander Zech, Andreas Dreuw, Tomasz Adam Wesołowski
Extension of frozen-density embedding theory for non-variational embedded wavefunctions. The Journal of chemical physics 150 (12) (2019)
Maximilian Scheurer, Peter Reinholdt, Erik Rosendahl Kjellgren, Jógvan Magnus Haugaard Olsen, Andreas Dreuw, Jacob Kongsted
CPPE: An Open-Source C++ and Python Library for Polarizable Embedding. Journal of chemical theory and computation 15 (11) (2019)
Sachin G Modha, Alexander Pöthig, Andreas Dreuw, Thorsten Bach
[6π] Photocyclization to cis-Hexahydrocarbazol-4-ones: Substrate Modification, Mechanism, and Scope. The Journal of organic chemistry 84 (3) (2019)
Behnam Nikoobakht, Andreas Dreuw, Horst Köppel
Excited state dynamics of the s-trans-1, 3-butadiene cation: An ab initio quantum dynamical analysis. The Journal of chemical physics 151 (10) (2019)
Nicolò Alagna, Jie Han, Nikolaus Wollscheid, J Luis Perez Lustres, Julia Herz, Sebastian Hahn, Silke Koser, Fabian Paulus, Uwe H F Bunz, Andreas Dreuw, Tiago Buckup, Marcus Motzkus
Tailoring Ultrafast Singlet Fission by the Chemical Modification of Phenazinothiadiazoles. Journal of the American Chemical Society 141 (22) (2019)
Chavdar Slavov, Chong Yang, Andreas H Heindl, Hermann A Wegner, Andreas Dreuw, Josef Wachtveitl
Thiophenylazobenzene: An Alternative Photoisomerization Controlled by Lone-Pair⋅⋅⋅π Interaction. Angewandte Chemie (International ed. in English) 59 (1) (2019)
Marvin Hoffmann, Stefanie A Mewes, Sonja Wieland, Christoph Popp, Andreas Dreuw
Electron-Hole Correlation as Unambiguous and Universal Classification for the Nature of Low-Lying ππ* States of Nitrogen Heterocycles. The journal of physical chemistry letters 10 (20) (2019)
Nicolò Alagna, J Luis Pérez Lustres, Nikolaus Wollscheid, Qingqing Luo, Jie Han, Andreas Dreuw, Florian L Geyer, Victor Brosius, Uwe H F Bunz, Tiago Buckup, Marcus Motzkus
Singlet Fission in Tetraaza-TIPS-Pentacene Oligomers: From fs Excitation to μs Triplet Decay via the Biexcitonic State. The journal of physical chemistry. B 123 (50) (2019)
Maximilian Scheurer, Michael F Herbst, Peter Reinholdt, Jógvan Magnus Haugaard Olsen, Andreas Dreuw, Jacob Kongsted
Polarizable Embedding Combined with the Algebraic Diagrammatic Construction: Tackling Excited States in Biomolecular Systems. Journal of chemical theory and computation 14 (9) (2018)
Chong Yang, Chavdar Slavov, Hermann A Wegner, Josef Wachtveitl, Andreas Dreuw
Computational design of a molecular triple photoswitch for wavelength-selective control. Chemical science 9 (46) (2018)
Natalie Orms, Dirk R Rehn, Andreas Dreuw, Anna I Krylov
Characterizing Bonding Patterns in Diradicals and Triradicals by Density-Based Wave Function Analysis: A Uniform Approach. Journal of chemical theory and computation 14 (2) (2018)
Michael F Herbst, Andreas Dreuw, James Emil Avery
Toward quantum-chemical method development for arbitrary basis functions. The Journal of chemical physics 149 (8) (2018)
Tsveta Miteva, Nikolai V Kryzhevoi, Nicolas Sisourat, Christophe Nicolas, Wandared Pokapanich, Thanit Saisopa, Prayoon Songsiriritthigul, Yuttakarn Rattanachai, Andreas Dreuw, Jan Wenzel, Jérôme Palaudoux, Gunnar Öhrwall, Ralph Püttner, Lorenz S Cederbaum, Jean-Pascal Rueff, Denis Céolin
The All-Seeing Eye of Resonant Auger Electron Spectroscopy: A Study on Aqueous Solution Using Tender X-rays. The journal of physical chemistry letters 9 (15) (2018)
Stefanie A Mewes, Felix Plasser, Anna I Krylov, Andreas Dreuw
Benchmarking Excited-State Calculations Using Exciton Properties. Journal of chemical theory and computation 14 (2) (2018)
Chavdar Slavov, Chong Yang, Andreas H Heindl, Tim Stauch, Hermann A Wegner, Andreas Dreuw, Josef Wachtveitl
Twist and Return-Induced Ring Strain Triggers Quick Relaxation of a ( Z)-Stabilized Cyclobisazobenzene. The journal of physical chemistry letters 9 (16) (2018)
Nicholas Paul, Man Jiang, Nikolai Bieniek, J Luis Pérez Lustres, Yang Li, Nikolaus Wollscheid, Tiago Buckup, Andreas Dreuw, Norbert A Hampp, Marcus Motzkus
Substituting Coumarins for Quinolinones: Altering the Cycloreversion Potential Energy Landscape. The journal of physical chemistry. A 122 (38) (2018)
Thomas Fransson, Andreas Dreuw
Simulating X-ray Emission Spectroscopy with Algebraic Diagrammatic Construction Schemes for the Polarization Propagator. Journal of chemical theory and computation 15 (1) (2018)
Patrick Norman, Andreas Dreuw
Simulating X-ray Spectroscopies and Calculating Core-Excited States of Molecules. Chemical reviews 118 (15) (2018)
Yvonne Becker, Erik Unger, Manuela A H Fichte, Daniel Alexander Gacek, Andreas Dreuw, Josef Wachtveitl, Peter J Walla, Alexander Heckel
A red-shifted two-photon-only caging group for three-dimensional photorelease. Chemical science 9 (10) (2018)
Tobias Setzer, Pascal Friederich, Velimir Meded, Wolfgang Wenzel, Christian Lennartz, Andreas Dreuw
Meltdown! Local Heating by Decaying Excited Host Positive Polarons Triggers Aggregation Quenching in Blue PhOLEDs. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (21) (2018)
Alexander Zech, Niccolò Ricardi, Stefan Prager, Andreas Dreuw, Tomasz Adam Wesołowski
Benchmark of Excitation Energy Shifts from Frozen-Density Embedding Theory: Introduction of a Density-Overlap-Based Applicability Threshold. Journal of chemical theory and computation 14 (8) (2018)
Stefan Pusch, Andreas Tröster, Daniel Lefrancois, Pooria Farahani, Andreas Dreuw, Thorsten Bach, Jason Sirleaf
Mechanism and cis/trans Selectivity of Vinylogous Nazarov-type [6π] Photocyclizations †. The Journal of organic chemistry 83 (2) (2018)
Maximilian Scheurer, Daria Brisker-Klaiman, Andreas Dreuw
Molecular Mechanism of Flavin Photoprotection by Archaeal Dodecin: Photoinduced Electron Transfer and Mg2+-Promoted Proton Transfer. The journal of physical chemistry. B 121 (46) (2017)
Stefanie A Mewes, Felix Plasser, Andreas Dreuw
Universal Exciton Size in Organic Polymers is Determined by Nonlocal Orbital Exchange in Time-Dependent Density Functional Theory. The journal of physical chemistry letters 8 (6) (2017)
Chong Yang, Andreas Dreuw
Evaluation of the restricted virtual space approximation in the algebraic-diagrammatic construction scheme for the polarization propagator to speed-up excited-state calculations. Journal of computational chemistry 38 (17) (2017)
Stefan Prager, Alexander Zech, Tomasz A Wesolowski, Andreas Dreuw
Implementation and Application of the Frozen Density Embedding Theory with the Algebraic Diagrammatic Construction Scheme for the Polarization Propagator up to Third Order. Journal of chemical theory and computation 13 (10) (2017)
Felix Plasser, Stefanie A Mewes, Andreas Dreuw, Leticia González
Detailed Wave Function Analysis for Multireference Methods: Implementation in the Molcas Program Package and Applications to Tetracene. Journal of chemical theory and computation 13 (11) (2017)
Mercedes Vanessa Bohnwagner, Andreas Dreuw
Regular Fluorescence of 4-Fluoro-N,N-dimethylaniline: No Charge Transfer and No Twisting. The journal of physical chemistry. A 121 (31) (2017)
Tim Stauch, Andreas Dreuw
Quantum Chemical Strain Analysis For Mechanochemical Processes. Accounts of chemical research 50 (4) (2017)
Daniel Lefrancois, Deniz Tuna, Todd J Martinez, Andreas Dreuw
The Spin-Flip Variant of the Algebraic-Diagrammatic Construction Yields the Correct Topology of S1/S0 Conical Intersections. Journal of chemical theory and computation 13 (9) (2017)
Tim Stauch, Andreas Dreuw
Force-induced retro-click reaction of triazoles competes with adjacent single-bond rupture. Chemical science 8 (8) (2017)
Dirk R Rehn, Andreas Dreuw, Patrick Norman
Resonant Inelastic X-ray Scattering Amplitudes and Cross Sections in the Algebraic Diagrammatic Construction/Intermediate State Representation (ADC/ISR) Approach. Journal of chemical theory and computation 13 (11) (2017)

Andreas Dreuw.css-eqlu8i{font-size:small;padding-left:4px;} (A Dreuw)

Publication Activity (10 Years)

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Andreas Dreuw (A Dreuw)