Dimitrios A Pantazis (D A Pantazis)

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 78

Top Topics

Transition Metal

Density Functional Theory

Room Temperature

Top Venues

Journal of the American Chemical Society

Journal of chemical theory and computation

Angewandte Chemie (International ed. in English)

The journal of physical chemistry. B

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

Publications

Maria Drosou, Dimitrios A Pantazis
Comprehensive Evaluation of Models for Ammonia Binding to the Oxygen Evolving Complex of Photosystem II. The journal of physical chemistry. B (2024)
Yu Guo, Lanlan He, Yunxuan Ding, Lars Kloo, Dimitrios A Pantazis, Johannes Messinger, Licheng Sun
Closing Kok's cycle of nature's water oxidation catalysis. Nature communications 15 (1) (2024)
Yu Guo, Lanlan He, Yunxuan Ding, Lars Kloo, Dimitrios A Pantazis, Johannes Messinger, Licheng Sun
Closing Kok's cycle of nature's water oxidation catalysis. Nature communications 15 (1) (2024)
Roman G Belli, Vanessa Muir, Nicholas B Dyck, Dimitrios A Pantazis, Tânia P A Sousa, Carly R Slusar, Hayley C Parkin, Lisa Rosenberg
Exploring Electrophilic Hydrophosphination via Metal Phosphenium Intermediates. Chemistry (Weinheim an der Bergstrasse, Germany) (2024)
Mursaleem Ansari, Sinjini Bhattacharjee, Dimitrios A Pantazis
Correlating Structure with Spectroscopy in Ascorbate Peroxidase Compound II. Journal of the American Chemical Society 146 (14) (2024)
Mursaleem Ansari, Sinjini Bhattacharjee, Dimitrios A Pantazis
Correlating Structure with Spectroscopy in Ascorbate Peroxidase Compound II. Journal of the American Chemical Society 146 (14) (2024)
Golokesh Santra, Frank Neese, Dimitrios A Pantazis
Extensive reference set and refined computational protocol for calculations of 57 Fe Mössbauer parameters. Physical chemistry chemical physics : PCCP (2024)
Mursaleem Ansari, Sinjini Bhattacharjee, Dimitrios A Pantazis
Correlating Structure with Spectroscopy in Ascorbate Peroxidase Compound II. Journal of the American Chemical Society 146 (14) (2024)
Maria Drosou, Sinjini Bhattacharjee, Dimitrios A Pantazis
Combined Multireference-Multiscale Approach to the Description of Photosynthetic Reaction Centers. Journal of chemical theory and computation (2024)
Penelope Pesara, Katarzyna Szafran, Henry C Nguyen, Abhishek Sirohiwal, Dimitrios A Pantazis, Michal Gabruk
Elucidating substrate binding in the light-dependent protochlorophyllide oxidoreductase. Chemical science 15 (20) (2024)
Maria Drosou, Sinjini Bhattacharjee, Dimitrios A Pantazis
Combined Multireference-Multiscale Approach to the Description of Photosynthetic Reaction Centers. Journal of chemical theory and computation (2024)
Yu Guo, Lanlan He, Yunxuan Ding, Lars Kloo, Dimitrios A Pantazis, Johannes Messinger, Licheng Sun
Closing Kok's cycle of nature's water oxidation catalysis. Nature communications 15 (1) (2024)
Roman G Belli, Vanessa Muir, Nicholas B Dyck, Dimitrios A Pantazis, Tânia P A Sousa, Carly R Slusar, Hayley C Parkin, Lisa Rosenberg
Exploring Electrophilic Hydrophosphination via Metal Phosphenium Intermediates. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (16) (2024)
Mursaleem Ansari, Sinjini Bhattacharjee, Dimitrios A Pantazis
Correlating Structure with Spectroscopy in Ascorbate Peroxidase Compound II. Journal of the American Chemical Society (2024)
Roman G Belli, Vanessa Muir, Nicholas B Dyck, Dimitrios A Pantazis, Tânia P A Sousa, Carly R Slusar, Hayley C Parkin, Lisa Rosenberg
Exploring Electrophilic Hydrophosphination via Metal Phosphenium Intermediates. Chemistry (Weinheim an der Bergstrasse, Germany) (2024)
Penelope Pesara, Katarzyna Szafran, Henry C Nguyen, Abhishek Sirohiwal, Dimitrios A Pantazis, Michal Gabruk
Elucidating substrate binding in the light-dependent protochlorophyllide oxidoreductase. Chemical science 15 (20) (2024)
Maria Drosou, Dimitrios A Pantazis
Comprehensive Evaluation of Models for Ammonia Binding to the Oxygen Evolving Complex of Photosystem II. The journal of physical chemistry. B 128 (6) (2024)
Yu Guo, Lanlan He, Yunxuan Ding, Lars Kloo, Dimitrios A Pantazis, Johannes Messinger, Licheng Sun
Closing Kok's cycle of nature's water oxidation catalysis. Nature communications 15 (1) (2024)
Maria Drosou, Dimitrios A Pantazis
Comprehensive Evaluation of Models for Ammonia Binding to the Oxygen Evolving Complex of Photosystem II. The journal of physical chemistry. B 128 (6) (2024)
Mursaleem Ansari, Sinjini Bhattacharjee, Dimitrios A Pantazis
Correlating Structure with Spectroscopy in Ascorbate Peroxidase Compound II. Journal of the American Chemical Society 146 (14) (2024)
Maria Drosou, Sinjini Bhattacharjee, Dimitrios A Pantazis
Combined Multireference-Multiscale Approach to the Description of Photosynthetic Reaction Centers. Journal of chemical theory and computation (2024)
Yu Guo, Lanlan He, Yunxuan Ding, Lars Kloo, Dimitrios A Pantazis, Johannes Messinger, Licheng Sun
Closing Kok's cycle of nature's water oxidation catalysis. Nature communications 15 (1) (2024)
Sinjini Bhattacharjee, Srilatha Arra, Isabella Daidone, Dimitrios A Pantazis
Excitation landscape of the CP43 photosynthetic antenna complex from multiscale simulations. Chemical science 15 (19) (2024)
Maria Drosou, Dimitrios A Pantazis
Comprehensive Evaluation of Models for Ammonia Binding to the Oxygen Evolving Complex of Photosystem II. The journal of physical chemistry. B 128 (6) (2024)
Mursaleem Ansari, Sinjini Bhattacharjee, Dimitrios A Pantazis
Correlating Structure with Spectroscopy in Ascorbate Peroxidase Compound II. Journal of the American Chemical Society 146 (14) (2024)
Sinjini Bhattacharjee, Srilatha Arra, Isabella Daidone, Dimitrios A Pantazis
Excitation landscape of the CP43 photosynthetic antenna complex from multiscale simulations. Chemical science 15 (19) (2024)
Matteo Capone, Abhishek Sirohiwal, Massimiliano Aschi, Dimitrios A Pantazis, Isabella Daidone
Alternative Fast and Slow Primary Charge-Separation Pathways in Photosystem II. Angewandte Chemie (International ed. in English) (2023)
Kaipeng Hou, Jonas Börgel, Henry Z H Jiang, Daniel J SantaLucia, Hyunchul Kwon, Hao Zhuang, Khetpakorn Chakarawet, Rachel C Rohde, Jordan W Taylor, Chaochao Dun, Maria V Paley, Ari B Turkiewicz, Jesse G Park, Haiyan Mao, Ziting Zhu, E Ercan Alp, Jiyong Zhao, Michael Y Hu, Barbara Lavina, Sergey Peredkov, Xudong Lv, Julia Oktawiec, Katie R Meihaus, Dimitrios A Pantazis, Marco Vandone, Valentina Colombo, Eckhard Bill, Jeffrey J Urban, R David Britt, Fernande Grandjean, Gary J Long, Serena DeBeer, Frank Neese, Jeffrey A Reimer, Jeffrey R Long
Reactive high-spin iron(IV)-oxo sites through dioxygen activation in a metal-organic framework. Science (New York, N.Y.) 382 (6670) (2023)
Dimitrios A Pantazis
Clues to how water splits during photosynthesis. Nature (2023)
Maria Drosou, Gerard Comas-Vilà, Frank Neese, Pedro Salvador, Dimitrios A Pantazis
Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex? Journal of the American Chemical Society (2023)
Sofia Tzani, Michael Pissas, Vasileios Psycharis, Dimitrios A Pantazis, Yiannis Sanakis, Catherine P Raptopoulou
Synthesis and structural, magnetic and spectroscopic characterization of iron(III) complexes with in situ formed ligands from methyl-2-pyridyl ketone transformations. Dalton transactions (Cambridge, England : 2003) 52 (6) (2023)
Maria Drosou, Gerard Comas-Vilà, Frank Neese, Pedro Salvador, Dimitrios A Pantazis
Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex? Journal of the American Chemical Society 145 (19) (2023)
Maria Chrysina, Maria Drosou, Rebeca G Castillo, Michael Reus, Frank Neese, Vera Krewald, Dimitrios A Pantazis, Serena DeBeer
Nature of S-States in the Oxygen-Evolving Complex Resolved by High-Energy Resolution Fluorescence Detected X-ray Absorption Spectroscopy. Journal of the American Chemical Society (2023)
Abhishek Sirohiwal, Dimitrios A Pantazis
Reaction Center Excitation in Photosystem II: From Multiscale Modeling to Functional Principles. Accounts of chemical research (2023)
Ioannis Stylianakis, Nikolaos Zervos, Jenn-Huei Lii, Dimitrios A Pantazis, Antonios D Kolocouris
Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory. Journal of computer-aided molecular design (2023)
Sinjini Bhattacharjee, Frank Neese, Dimitrios A Pantazis
Triplet states in the reaction center of Photosystem II. Chemical science 14 (35) (2023)
Maria Drosou, Gerard Comas-Vilà, Frank Neese, Pedro Salvador, Dimitrios A Pantazis
Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex? Journal of the American Chemical Society 145 (19) (2023)
Sofia Tzani, Michael Pissas, Vasileios Psycharis, Dimitrios A Pantazis, Yiannis Sanakis, Catherine P Raptopoulou
Synthesis and structural, magnetic and spectroscopic characterization of iron(III) complexes with in situ formed ligands from methyl-2-pyridyl ketone transformations. Dalton transactions (Cambridge, England : 2003) (2023)
Maria Drosou, Gerard Comas-Vilà, Frank Neese, Pedro Salvador, Dimitrios A Pantazis
Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex? Journal of the American Chemical Society 145 (19) (2023)
Dimitrios A Pantazis
Clues to how water splits during photosynthesis. Nature 617 (7961) (2023)
Dimitrios A Pantazis
Clues to how water splits during photosynthesis. Nature 617 (7961) (2023)
Abhishek Sirohiwal, Dimitrios A Pantazis
The Electronic Origin of Far-Red-Light-Driven Oxygenic Photosynthesis. Angewandte Chemie (International ed. in English) 61 (16) (2022)
Sinjini Bhattacharjee, Miho Isegawa, Miquel Garcia-Ratés, Frank Neese, Dimitrios A Pantazis
Ionization Energies and Redox Potentials of Hydrated Transition Metal Ions: Evaluation of Domain-Based Local Pair Natural Orbital Coupled Cluster Approaches. Journal of chemical theory and computation 18 (3) (2022)
Maria Drosou, Christiana A Mitsopoulou, Dimitrios A Pantazis
Reconciling Local Coupled Cluster with Multireference Approaches for Transition Metal Spin-State Energetics. Journal of chemical theory and computation 18 (6) (2022)
Oriol Planas, Vytautas Peciukenas, Markus Leutzsch, Nils Nöthling, Dimitrios A Pantazis, Josep Cornella
Mechanism of the Aryl-F Bond-Forming Step from Bi(V) Fluorides. Journal of the American Chemical Society 144 (32) (2022)
Abhishek Sirohiwal, Dimitrios A Pantazis
Functional Water Networks in Fully Hydrated Photosystem II. Journal of the American Chemical Society 144 (48) (2022)
Rogelio J Gómez-Piñeiro, Maria Drosou, Sylvain Bertaina, Christophe Decroos, Ariane Jalila Simaan, Dimitrios A Pantazis, Maylis Orio
Decoding the Ambiguous Electron Paramagnetic Resonance Signals in the Lytic Polysaccharide Monooxygenase from Photorhabdus luminescens . Inorganic chemistry 61 (20) (2022)
Wolfgang Lubitz, Dimitrios A Pantazis, Nicholas Cox
Water oxidation in oxygenic photosynthesis studied by magnetic resonance techniques. FEBS letters (2022)
Li Feng Lim, Martyna Judd, Petra Vasko, Michael G Gardiner, Dimitrios A Pantazis, Nicholas Cox, Jamie Hicks
Crystalline Germanium(I) and Tin(I) Centered Radical Anions. Angewandte Chemie (International ed. in English) 61 (21) (2022)
Abhishek Sirohiwal, Frank Neese, Dimitrios A Pantazis
How Can We Predict Accurate Electrochromic Shifts for Biochromophores? A Case Study on the Photosynthetic Reaction Center. Journal of chemical theory and computation 17 (3) (2021)
Maylis Orio, Dimitrios A Pantazis
Successes, challenges, and opportunities for quantum chemistry in understanding metalloenzymes for solar fuels research. Chemical communications (Cambridge, England) 57 (33) (2021)
Abhishek Sirohiwal, Dimitrios A Pantazis
Electrostatic profiling of photosynthetic pigments: implications for directed spectral tuning. Physical chemistry chemical physics : PCCP 23 (43) (2021)
Maria Drosou, Georgia Zahariou, Dimitrios A Pantazis
Orientational Jahn-Teller Isomerism in the Dark-Stable State of Nature's Water Oxidase. Angewandte Chemie (International ed. in English) 60 (24) (2021)
P W Antoni, C Golz, Julian J Holstein, Dimitrios A Pantazis, Max M Hansmann
Isolation and reactivity of an elusive diazoalkene. Nature chemistry 13 (6) (2021)
Abhishek Sirohiwal, Frank Neese, Dimitrios A Pantazis
Chlorophyll excitation energies and structural stability of the CP47 antenna of photosystem II: a case study in the first-principles simulation of light-harvesting complexes. Chemical science 12 (12) (2021)
Christine E Schulz, Maurice van Gastel, Dimitrios A Pantazis, Frank Neese
Converged Structural and Spectroscopic Properties for Refined QM/MM Models of Azurin. Inorganic chemistry 60 (10) (2021)
Maria Drosou, Dimitrios A Pantazis
Redox Isomerism in the S3 State of the Oxygen-Evolving Complex Resolved by Coupled Cluster Theory. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (50) (2021)
Christine E Schulz, Rebeca G Castillo, Dimitrios A Pantazis, Serena DeBeer, Frank Neese
Structure-Spectroscopy Correlations for Intermediate Q of Soluble Methane Monooxygenase: Insights from QM/MM Calculations. Journal of the American Chemical Society 143 (17) (2021)
Yury Kutin, Justus Reitz, Patrick W Antoni, Anton Savitsky, Dimitrios A Pantazis, Müge Kasanmascheff, Max M Hansmann
Characterization of a Triplet Vinylidene. Journal of the American Chemical Society 143 (50) (2021)
Roman G Belli, Dimitrios A Pantazis, Robert McDonald, Lisa Rosenberg
Reversible Silylium Transfer between P-H and Si-H Donors. Angewandte Chemie (International ed. in English) 60 (5) (2020)
Julian D Rolfes, Frank Neese, Dimitrios A Pantazis
All-electron scalar relativistic basis sets for the elements Rb-Xe. Journal of computational chemistry 41 (20) (2020)
Georgia Zahariou, Nikolaos Ioannidis, Yiannis Sanakis, Dimitrios A Pantazis
Arrested Substrate Binding Resolves Catalytic Intermediates in Higher-Plant Water Oxidation. Angewandte Chemie (International ed. in English) 60 (6) (2020)
Abhishek Sirohiwal, Frank Neese, Dimitrios A Pantazis
Protein Matrix Control of Reaction Center Excitation in Photosystem II. Journal of the American Chemical Society 142 (42) (2020)
Nikolaos-Angelos Stamos, Eleftherios Ferentinos, Maria Chrysina, Catherine P Raptopoulou, Vassilis Psycharis, Yiannis Sanakis, Dimitrios A Pantazis, Panayotis Kyritsis, George Mitrikas
Unusual 31P Hyperfine Strain Effects in a Conformationally Flexible Cu(II) Complex Revealed by Two-Dimensional Pulse EPR Spectroscopy. Inorganic chemistry 59 (6) (2020)
Rogelio J Gómez-Piñeiro, Dimitrios A Pantazis, Maylis Orio
Comparison of Density Functional and Correlated Wave Function Methods for the Prediction of Cu(II) Hyperfine Coupling Constants. Chemphyschem : a European journal of chemical physics and physical chemistry 21 (24) (2020)
Abhishek Sirohiwal, Romain Berraud-Pache, Frank Neese, Robert Izsak, Dimitrios A Pantazis
Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster Methods. The journal of physical chemistry. B 124 (40) (2020)
Dimitrios A Pantazis
Meeting the Challenge of Magnetic Coupling in a Triply-Bridged Chromium Dimer: Complementary Broken-Symmetry Density Functional Theory and Multireference Density Matrix Renormalization Group Perspectives. Journal of chemical theory and computation 15 (2) (2019)
Abhishek Sirohiwal, Frank Neese, Dimitrios A Pantazis
Microsolvation of the Redox-Active Tyrosine-D in Photosystem II: Correlation of Energetics with EPR Spectroscopy and Oxidation-Induced Proton Transfer. Journal of the American Chemical Society 141 (7) (2019)
Reza Ghafarian Shirazi, Frank Neese, Dimitrios A Pantazis, Giovanni Bistoni
Physical Nature of Differential Spin-State Stabilization of Carbenes by Hydrogen and Halogen Bonding: A Domain-Based Pair Natural Orbital Coupled Cluster Study. The journal of physical chemistry. A 123 (24) (2019)
Christopher J Stein, Dimitrios A Pantazis, Vera Krewald
Orbital Entanglement Analysis of Exchange-Coupled Systems. The journal of physical chemistry letters 10 (21) (2019)
Maria Chrysina, Juliana Cecília de Mendonça Silva, Georgia Zahariou, Dimitrios A Pantazis, Nikolaos Ioannidis
Proton Translocation via Tautomerization of Asn298 During the S2-S3 State Transition in the Oxygen-Evolving Complex of Photosystem II. The journal of physical chemistry. B 123 (14) (2019)
Zachary Mathe, Dimitrios A Pantazis, Heui Beom Lee, Richard Gnewkow, Benjamin E Van Kuiken, Theodor Agapie, Serena DeBeer
Calcium Valence-to-Core X-ray Emission Spectroscopy: A Sensitive Probe of Oxo Protonation in Structural Models of the Oxygen-Evolving Complex. Inorganic chemistry 58 (23) (2019)
Reza Ghafarian Shirazi, Frank Neese, Dimitrios A Pantazis
Accurate Spin-State Energetics for Aryl Carbenes. Journal of chemical theory and computation 14 (9) (2018)
Christine E Schulz, Achintya Kumar Dutta, Róbert Izsák, Dimitrios A Pantazis
Systematic High-Accuracy Prediction of Electron Affinities for Biological Quinones. Journal of computational chemistry 39 (29) (2018)
Satadal Paul, Nicholas Cox, Dimitrios A Pantazis
What Can We Learn from a Biomimetic Model of Nature's Oxygen-Evolving Complex? Inorganic chemistry 56 (7) (2017)
Michael Roemelt, Vera Krewald, Dimitrios A Pantazis
Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese Complex. Journal of chemical theory and computation 14 (1) (2017)
Thomas Lohmiller, Vera Krewald, Arezki Sedoud, A William Rutherford, Frank Neese, Wolfgang Lubitz, Dimitrios A Pantazis, Nicholas Cox
The First State in the Catalytic Cycle of the Water-Oxidizing Enzyme: Identification of a Water-Derived μ-Hydroxo Bridge. Journal of the American Chemical Society 139 (41) (2017)
Marius Retegan, Dimitrios A Pantazis
Differences in the Active Site of Water Oxidation among Photosynthetic Organisms. Journal of the American Chemical Society 139 (41) (2017)