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Anna I Krylov (A I Krylov, Anna Krylov)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 70

Top Venues

The journal of physical chemistry letters

The journal of physical chemistry. A

The Journal of chemical physics

Journal of chemical theory and computation

University of Southern California

Hebrew University of Jerusalem (PHD)

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

Affiliation History

University of Southern California Aug 1o 1998

United States

Professor :: Chemistry

Education History

Hebrew University of Jerusalem Jul 1o 1991 - Jul 1o 1996

Israel

PHD :: Chemistry

Publications

Madison M Foreman, Maristella Alessio, Anna I Krylov, J Mathias Weber
Influence of Transition Metal Electron Configuration on the Structure of Metal-EDTA Complexes. The journal of physical chemistry. A (2023)
Madison M Foreman, Maristella Alessio, Anna I Krylov, J Mathias Weber
Influence of Transition Metal Electron Configuration on the Structure of Metal-EDTA Complexes. The journal of physical chemistry. A 127 (10) (2023)
Nayanthara K Jayadev, Anthuan Ferino-Pérez, Florian Matz, Anna I Krylov, Thomas-Christian Jagau
The Auger spectrum of benzene. The Journal of chemical physics 158 (6) (2023)
Sven Kähler, Antonio Cebreiro-Gallardo, Pavel Pokhilko, David Casanova, Anna I Krylov
State-Interaction Approach for Evaluating g -Tensors within EOM-CC and RAS-CI Frameworks: Theory and Benchmarks. The journal of physical chemistry. A (2023)
Kaushik D Nanda, Sahil Gulania, Anna I Krylov
Theory, implementation, and disappointing results for two-photon absorption cross sections within the doubly electron-attached equation-of-motion coupled-cluster framework. The Journal of chemical physics 158 (5) (2023)
Bella L Grigorenko, Igor V Polyakov, Maria G Khrenova, Goran Giudetti, Shirin Faraji, Anna I Krylov, Alexander V Nemukhin
Multiscale Simulations of the Covalent Inhibition of the SARS-CoV-2 Main Protease: Four Compounds and Three Reaction Mechanisms. Journal of the American Chemical Society (2023)
T Daniel Crawford, Anna I Krylov, Henry F Schaefer, Troy Van Voorhis
MQM 2022: The 10th Triennial Conference on Molecular Quantum Mechanics. The journal of physical chemistry. A 127 (23) (2023)
Koushik Chatterjee, Zsuzsanna Koczor-Benda, Xintian Feng, Anna I Krylov, Thomas-Christian Jagau
Analytic Evaluation of Nonadiabatic Couplings within the Complex Absorbing Potential Equation-of-Motion Coupled-Cluster Method. Journal of chemical theory and computation (2023)
Michael Epshtein, Bruno Nunes Cabral Tenorio, Marta L Vidal, Valeriu Scutelnic, Zheyue Yang, Tian Xue, Anna I Krylov, Sonia Coriani, Stephen R Leone
Signatures of the Bromine Atom and Open-Shell Spin Coupling in the X-ray Spectrum of the Bromobenzene Cation. Journal of the American Chemical Society (2023)
Yongbin Kim, Anna I Krylov
Two Algorithms for Excited-State Quantum Solvers: Theory and Application to EOM-UCCSD. The journal of physical chemistry. A (2023)
Michael Epshtein, Bruno Nunes Cabral Tenorio, Marta L Vidal, Valeriu Scutelnic, Zheyue Yang, Tian Xue, Anna I Krylov, Sonia Coriani, Stephen R Leone
Signatures of the Bromine Atom and Open-Shell Spin Coupling in the X-ray Spectrum of the Bromobenzene Cation. Journal of the American Chemical Society 145 (6) (2023)
Nayanthara K Jayadev, Wojciech Skomorowski, Anna I Krylov
Molecular-Orbital Framework of Two-Electron Processes: Application to Auger and Intermolecular Coulomb Decay. The journal of physical chemistry letters (2023)
Josefine H Andersen, Kaushik D Nanda, Anna I Krylov, Sonia Coriani
Cherry-Picking Resolvents: Recovering the Valence Contribution in X-ray Two-Photon Absorption within the Core-Valence-Separated Equation-of-Motion Coupled-Cluster Response Theory. Journal of chemical theory and computation 18 (10) (2022)
Saikiran Kotaru, Pavel Pokhilko, Anna I Krylov
Spin-orbit couplings within spin-conserving and spin-flipping time-dependent density functional theory: Implementation and benchmark calculations. The Journal of chemical physics 157 (22) (2022)
Saikiran Kotaru, Sven Kähler, Maristella Alessio, Anna I Krylov
Magnetic exchange interactions in binuclear and tetranuclear iron(III) complexes described by spin-flip DFT and Heisenberg effective Hamiltonians. Journal of computational chemistry (2022)
Andrew M Wibowo-Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Alexei V Arbuznikov, Paul W Ayers, Evert Jan Baerends, Vincenzo Barone, Patrizia Calaminici, Eric Cancès, Emily A Carter, Pratim Kumar Chattaraj, Henry Chermette, Ilaria Ciofini, T Daniel Crawford, Frank de Proft, John F Dobson, Claudia Draxl, Thomas Frauenheim, Emmanuel Fromager, Patricio Fuentealba, Soumen Ghosh, Giulia Galli, Jiali Gao, Paul Geerlings, Nikitas I Gidopoulos, Peter M W Gill, Paola Gori-Giorgi, Andreas Görling, Timothy Gould, Stefan Grimme, Oleg V Gritsenko, Hans Jørgen Aagaard Jensen, Erin R Johnson, Robert O Jones, Martin Kaupp, Andreas M Köster, Leeor Kronik, Anna I Krylov, Simen Kvaal, Andre Laestadius, Mel Levy, Mathieu Lewin, Shubin Liu, Pierre-François Loos, Neepa T Maitra, Frank Neese, John P Perdew, Katarzyna Pernal, Pascal Pernot, Piotr Piecuch, Elisa Rebolini, Lucia Reining, Pina Romaniello, Adrienn Ruzsinszky, Dennis R Salahub, Matthias Scheffler, Peter Schwerdtfeger, Viktor N Staroverov, Jianwei Sun, Erik I Tellgren, David J Tozer, Samuel B Trickey, Carsten A Ullrich, Alberto Vela, Giovanni Vignale, Tomasz Adam Wesołowski, Xin Xu, Weitao Yang
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical chemistry chemical physics : PCCP 24 (47) (2022)
Josefine H Andersen, Kaushik D Nanda, Anna I Krylov, Sonia Coriani
Probing Molecular Chirality of Ground and Electronically Excited States in the UV-vis and X-ray Regimes: An EOM-CCSD Study. Journal of chemical theory and computation 18 (3) (2022)
Goran Giudetti, Igor V Polyakov, Bella L Grigorenko, Shirin Faraji, Alexander V Nemukhin, Anna I Krylov
How Reproducible Are QM/MM Simulations? Lessons from Computational Studies of the Covalent Inhibition of the SARS-CoV-2 Main Protease by Carmofur. Journal of chemical theory and computation 18 (8) (2022)
Beverly Feng, C Annie Hart, Richard Mabbs, Samer Gozem, Anna I Krylov, Andrei Sanov
Dipole effects in the photoelectron angular distributions of the sulfur monoxide anion. Physical chemistry chemical physics : PCCP 24 (38) (2022)
Shota Tsuru, Marta L Vidal, Mátyás Pápai, Anna I Krylov, Klaus Braagaard Møller, Sonia Coriani
An assessment of different electronic structure approaches for modeling time-resolved x-ray absorption spectroscopy. Structural dynamics (Melville, N.Y.) 8 (2) (2021)
Maristella Alessio, Anna I Krylov
Equation-of-Motion Coupled-Cluster Protocol for Calculating Magnetic Properties: Theory and Applications to Single-Molecule Magnets. Journal of chemical theory and computation 17 (7) (2021)
Maria-Andrea Mroginski, Suliman Adam, Gil S Amoyal, Avishai Barnoy, Ana-Nicoleta Bondar, Veniamin A Borin, Jonathan Richard Church, Tatiana Domratcheva, Bernd Ensing, Francesca Fanelli, Nicolas Ferré, Ofer Filiba, Laura Pedraza-González, Ronald González, Cristina E González-Espinoza, Rajiv Kumar Kar, Lukas Kemmler, Seung Soo Kim, Jacob Kongsted, Anna I Krylov, Yigal Lahav, Michalis Lazaratos, Qays NasserEddin, Isabelle Navizet, Alexander V Nemukhin, Massimo Olivucci, Jógvan Magnus Haugaard Olsen, Alberto Pérez de Alba Ortíz, Elisa Pieri, Aditya G Rao, Young Min Rhee, Niccolò Ricardi, Saumik Sen, Ilia A Solov'yov, Luca De Vico, Tomasz Adam Wesołowski, Christian Wiebeler, Xuchun Yang, Igor Schapiro
Frontiers in Multiscale Modeling of Photoreceptor Proteins. Photochemistry and photobiology 97 (2) (2021)
C Annie Hart, Justin Lyle, Joseph Spellberg, Anna I Krylov, Richard Mabbs
Role of the Electron-Dipole Interaction in Photodetachment Angular Distributions. The journal of physical chemistry letters 12 (41) (2021)
Valeriu Scutelnic, Shota Tsuru, Mátyás Pápai, Zheyue Yang, Michael Epshtein, Tian Xue, Eric A Haugen, Yuki Kobayashi, Anna I Krylov, Klaus Braagaard Møller, Sonia Coriani, Stephen R Leone
X-ray transient absorption reveals the 1Au (nπ*) state of pyrazine in electronic relaxation. Nature communications 12 (1) (2021)
Aurora E Clark, Henry Adams, Rigoberto Hernandez, Anna I Krylov, Anders M N Niklasson, Sapna Sarupria, Yusu Wang, Stefan M Wild, Qian Yang
The Middle Science: Traversing Scale In Complex Many-Body Systems. ACS central science 7 (8) (2021)
Anna I Krylov
The Peril of Politicizing Science. The journal of physical chemistry letters 12 (22) (2021)
Tirthendu Sen, Yingying Ma, Igor V Polyakov, Bella L Grigorenko, Alexander V Nemukhin, Anna I Krylov
Interplay between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in the Fluorescent Protein Dreiklang. The journal of physical chemistry. B 125 (3) (2021)
Maxim V Ivanov, Felix H Bangerter, Paweł Wójcik, Anna I Krylov
Toward Ultracold Organic Chemistry: Prospects of Laser Cooling Large Organic Molecules. The journal of physical chemistry letters 11 (16) (2020)
Marta L Vidal, Anna I Krylov, Sonia Coriani
Correction: Dyson orbitals within the fc-CVS-EOM-CCSD framework: theory and application to X-ray photoelectron spectroscopy of ground and excited states. Physical chemistry chemical physics : PCCP 22 (6) (2020)
Maxim V Ivanov, Felix H Bangerter, Paweł Wójcik, Anna I Krylov
Correction to "Toward Ultracold Organic Chemistry: Prospects of Laser Cooling Large Organic Molecules". The journal of physical chemistry letters 11 (21) (2020)
Maxim V Ivanov, Anna I Krylov, Shmuel Zilberg
Long-Range N-N Bonding by Rydberg Electrons. The journal of physical chemistry letters 11 (6) (2020)
Marta L Vidal, Michael Epshtein, Valeriu Scutelnic, Zheyue Yang, Tian Xue, Stephen R Leone, Anna I Krylov, Sonia Coriani
Interplay of Open-Shell Spin-Coupling and Jahn-Teller Distortion in Benzene Radical Cation Probed by X-ray Spectroscopy. The journal of physical chemistry. A 124 (46) (2020)
Samer Gozem, Robert Seidel, Uwe Hergenhahn, Evgeny Lugovoy, Bernd Abel, Bernd Winter, Anna I Krylov, Stephen E Bradforth
Probing the Electronic Structure of Bulk Water at the Molecular Length Scale with Angle-Resolved Photoelectron Spectroscopy. The journal of physical chemistry letters 11 (13) (2020)
Pavel Pokhilko, Daniil Izmodenov, Anna I Krylov
Extension of frozen natural orbital approximation to open-shell references: Theory, implementation, and application to single-molecule magnets. The Journal of chemical physics 152 (3) (2020)
Zhi-Heng Loh, Gilles Doumy, Caroline Arnold, L Kjellsson, Stephen H Southworth, A Al Haddad, Yoshiaki Kumagai, Ming-Feng Tu, P J Ho, Anne-Marie March, Richard D Schaller, M S Bin Mohd Yusof, Tushar Debnath, M Simon, Ralph Welsch, Ludger Inhester, Khadijeh Khalili, Kaushik D Nanda, Anna I Krylov, S Moeller, Giacomo Coslovich, Jake D Koralek, Michael P Minitti, William Schlotter, Jan-Erik Rubensson, Robin Santra, Linda Young
Observation of the fastest chemical processes in the radiolysis of water. Science (New York, N.Y.) 367 (6474) (2020)
Maxim V Ivanov, Sahil Gulania, Anna I Krylov
Two Cycling Centers in One Molecule: Communication by Through-Bond Interactions and Entanglement of the Unpaired Electrons. The journal of physical chemistry letters 11 (4) (2020)
Michael Epshtein, Valeriu Scutelnic, Zheyue Yang, Tian Xue, Marta L Vidal, Anna I Krylov, Sonia Coriani, Stephen R Leone
Table-Top X-ray Spectroscopy of Benzene Radical Cation. The journal of physical chemistry. A 124 (46) (2020)
Marta L Vidal, Pavel Pokhilko, Anna I Krylov, Sonia Coriani
Equation-of-Motion Coupled-Cluster Theory to Model L-Edge X-ray Absorption and Photoelectron Spectra. The journal of physical chemistry letters 11 (19) (2020)
Bella L Grigorenko, Igor V Polyakov, Anna I Krylov, Alexander V Nemukhin
Computational Modeling Reveals the Mechanism of Fluorescent State Recovery in the Reversibly Photoswitchable Protein Dreiklang. The journal of physical chemistry. B 123 (42) (2019)
Curt Wittig, Andrei Sanov, Scott A Reid, Anna I Krylov
Tribute to Hanna Reisler. The journal of physical chemistry. A 123 (30) (2019)
Alexandre Barrozo, Bo Xu, Anastasia O Gunina, Michael I Jacobs, Kevin R Wilson, Oleg Kostko, Musahid Ahmed, Anna I Krylov
To Be or Not To Be a Molecular Ion: The Role of the Solvent in Photoionization of Arginine. The journal of physical chemistry letters 10 (8) (2019)
Shota Tsuru, Marta L Vidal, Mátyás Pápai, Anna I Krylov, Klaus Braagaard Møller, Sonia Coriani
Time-resolved near-edge X-ray absorption fine structure of pyrazine from electronic structure and nuclear wave packet dynamics simulations. The Journal of chemical physics 151 (12) (2019)
Pavel Pokhilko, Robin Shannon, David R Glowacki, Hai Wang, Anna I Krylov
Spin-Forbidden Channels in Reactions of Unsaturated Hydrocarbons with O(3P). The journal of physical chemistry. A 123 (2) (2019)
Kaushik D Nanda, Marta L Vidal, Rasmus Faber, Sonia Coriani, Anna I Krylov
How to stay out of trouble in RIXS calculations within equation-of-motion coupled-cluster damped response theory? Safe hitchhiking in the excitation manifold by means of core-valence separation. Physical chemistry chemical physics : PCCP 22 (5) (2019)
Maxim V Ivanov, Felix H Bangerter, Anna I Krylov
Towards a rational design of laser-coolable molecules: insights from equation-of-motion coupled-cluster calculations. Physical chemistry chemical physics : PCCP 21 (35) (2019)
Marta L Vidal, Anna I Krylov, Sonia Coriani
Dyson orbitals within the fc-CVS-EOM-CCSD framework: theory and application to X-ray photoelectron spectroscopy of ground and excited states. Physical chemistry chemical physics : PCCP 22 (5) (2019)
Marta L Vidal, Xintian Feng, Evgeny Epifanovsky, Anna I Krylov, Sonia Coriani
New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States. Journal of chemical theory and computation 15 (5) (2019)
Parmeet Nijjar, Anna I Krylov, Oleg V Prezhdo, Andrey F Vilesov, Curt Wittig
Triplet Excitons in Small Helium Clusters. The journal of physical chemistry. A 123 (29) (2019)
Pavel Pokhilko, Anna I Krylov
Quantitative El-Sayed Rules for Many-Body Wave Functions from Spinless Transition Density Matrices. The journal of physical chemistry letters 10 (17) (2019)
Alexander V Nemukhin, Bella L Grigorenko, Maria G Khrenova, Anna I Krylov
Computational Challenges in Modeling of Representative Bioimaging Proteins: GFP-Like Proteins, Flavoproteins, and Phytochromes. The journal of physical chemistry. B 123 (29) (2019)
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)
Wojciech Skomorowski, Anna I Krylov
Real and Imaginary Excitons: Making Sense of Resonance Wave Functions by Using Reduced State and Transition Density Matrices. The journal of physical chemistry letters 9 (14) (2018)
Yulia G Ermakova, Tirthendu Sen, Yulia A Bogdanova, Alexander Yu Smirnov, Nadezhda S Baleeva, Anna I Krylov, Mikhail S Baranov
Pyridinium Analogues of Green Fluorescent Protein Chromophore: Fluorogenic Dyes with Large Solvent-Dependent Stokes Shift. The journal of physical chemistry letters 9 (8) (2018)
Alexandre Barrozo, Mohamed Y El-Naggar, Anna I Krylov
Distinct Electron Conductance Regimes in Bacterial Decaheme Cytochromes. Angewandte Chemie (International ed. in English) 57 (23) (2018)
Kaushik D Nanda, Anna I Krylov
The effect of polarizable environment on two-photon absorption cross sections characterized by the equation-of-motion coupled-cluster singles and doubles method combined with the effective fragment potential approach. The Journal of chemical physics 149 (16) (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)
Shuai Xu, Alexandre Barrozo, Leonard M Tender, Anna I Krylov, Mohamed Y El-Naggar
Multiheme Cytochrome Mediated Redox Conduction through Shewanella oneidensis MR-1 Cells. Journal of the American Chemical Society 140 (32) (2018)
Kaushik D Nanda, Anna I Krylov, Jürgen Gauss
Communication: The pole structure of the dynamical polarizability tensor in equation-of-motion coupled-cluster theory. The Journal of chemical physics 149 (14) (2018)
Leah G Dodson, John D Savee, Samer Gozem, Linhan Shen, Anna I Krylov, Craig A Taatjes, David L Osborn, Mitchio Okumura
Vacuum ultraviolet photoionization cross section of the hydroxyl radical. The Journal of chemical physics 148 (18) (2018)
Natalie Orms, Anna I Krylov
Singlet-triplet energy gaps and the degree of diradical character in binuclear copper molecular magnets characterized by spin-flip density functional theory. Physical chemistry chemical physics : PCCP 20 (19) (2018)
Bibek R Samanta, Subhasish Sutradhar, Ravin Fernando, Anna I Krylov, Hanna Reisler
Electronic Structure and Rydberg-Core Interactions in Hydroxycarbene and Methylhydroxycarbene. The journal of physical chemistry. A 122 (30) (2018)
P Nijjar, Anna I Krylov, Oleg V Prezhdo, Andrey F Vilesov, Curt Wittig
Conversion of He(23 S) to He2( a3Σ u+) in Liquid Helium. The journal of physical chemistry letters 9 (20) (2018)
Nadezhda V Korovina, Jimmy Joy, Xintian Feng, Cassidy Feltenberger, Anna I Krylov, Stephen E Bradforth, Mark E Thompson
Linker-Dependent Singlet Fission in Tetracene Dimers. Journal of the American Chemical Society 140 (32) (2018)
Pavel Pokhilko, Evgeny Epifanovsky, Anna I Krylov
Double Precision Is Not Needed for Many-Body Calculations: Emergent Conventional Wisdom. Journal of chemical theory and computation 14 (8) (2018)
Shirin Faraji, Spiridoula Matsika, Anna I Krylov
Calculations of non-adiabatic couplings within equation-of-motion coupled-cluster framework: Theory, implementation, and validation against multi-reference methods. The Journal of chemical physics 148 (4) (2018)
Justin Lyle, Olivia Wedig, Sahil Gulania, Anna I Krylov, Richard Mabbs
Channel branching ratios in CH2CN- photodetachment: Rotational structure and vibrational energy redistribution in autodetachment. The Journal of chemical physics 147 (23) (2018)
Anna I Krylov, Theresa L Windus, Taylor Barnes, Eliseo Marin-Rimoldi, Jessica A Nash, Benjamin Pritchard, Daniel G A Smith, Doaa Altarawy, Paul Saxe, Cecilia Clementi, T Daniel Crawford, Robert J Harrison, Shantenu Jha, Vijay S Pande, Teresa Head-Gordon
Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science. The Journal of chemical physics 149 (18) (2018)
Natalie Orms, Anna I Krylov
Modeling Photoelectron Spectra of CuO, Cu2O, and CuO2 Anions with Equation-of-Motion Coupled-Cluster Methods: An Adventure in Fock Space. The journal of physical chemistry. A 122 (14) (2018)
Adam R Luxon, Natalie Orms, René Kanters, Anna I Krylov, Carol A Parish
An ab Initio Exploration of the Bergman Cyclization. The journal of physical chemistry. A 122 (1) (2017)
Maria G Khrenova, Igor V Polyakov, Bella L Grigorenko, Anna I Krylov, Alexander V Nemukhin
Improving the Design of the Triple-Decker Motif in Red Fluorescent Proteins. The journal of physical chemistry. B 121 (47) (2017)

Anna I Krylov.css-eqlu8i{font-size:small;padding-left:4px;} (A I Krylov, Anna Krylov)

Publication Activity (10 Years)

Top Topics

Top Venues

Anna I Krylov (A I Krylov, Anna Krylov)