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Scopus Author ID: 27267651900

Keywords

quantum chemistry, theoretical calculations, open-shell systems, small molecules activation, hydroge

Countries

Poland

Activities

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Employment (5)

Institute of Physical Chemistry, Polish Academy of Sciences: Warsaw, PL

2016-02-01 to present | Associate Professor (Institute of Physical Chemistry)
Employment
Source: Self-asserted source
Adam Kubas

Max Planck Institute for Chemical Energy Conversion: Mülheim, DE

2014-09-01 to 2016-03-31 | PostDoc (Theoretical spectroscopy)
Employment
Source: Self-asserted source
Adam Kubas

University College London: London, London, GB

2012-09-01 to 2014-09-01 | PostDoc (Physics and Astronomy)
Employment
Source: Self-asserted source
Adam Kubas

Karlsruher Institut für Technologie: Karlsruhe, Baden-Württemberg, DE

2009-08-01 to 2012-08-31 | PhD student and teaching assistant (Chemistry)
Employment
Source: Self-asserted source
Adam Kubas

BioInfoBank (Poland): Poznań, PL

2005-05-01 to 2009-05-01 | Assistant
Employment
Source: Self-asserted source
Adam Kubas

Education and qualifications (3)

Institute of Physical Chemistry, Polish Academy of Sciences: Warsaw, PL

2018-09-15 to 2019-04-25 | Habilitation (Institute of Physical Chemistry)
Education
Source: Self-asserted source
Adam Kubas

Karlsruher Institut für Technologie: Karlsruhe, Baden-Württemberg, DE

2009-01-08 to 2012-07-31 | PhD (Chemistry)
Education
Source: Self-asserted source
Adam Kubas

Adam Mickiewicz University in Poznań: Poznań, PL

2004-01-10 to 2009-06-01 | MSc (Chemistry)
Education
Source: Self-asserted source
Adam Kubas

Funding (2)

CoopCat: developing theoretical tools and concepts to understand cooperative effects in catalysis

2019-04 to 2023-03 | Grant
National Science Centre of Poland (Krakow, PL)
GRANT_NUMBER:

2018/30/E/ST4/00004

Source: Self-asserted source
Adam Kubas

Iron-sulfur clusters as natural switches: consequences of the unique iron atom coordination at a molecular level

2016-02 to 2018-09 | Grant
National Science Centre of Poland (Warsaw, PL)
GRANT_NUMBER:

UMO-2015/17/D/ST4/00112
Source: Self-asserted source
Adam Kubas

Works (50 of 71)

Items per page:
Page 1 of 2

An overview of physical and chemical long-range phenomena governed by Friedel oscillations: a bridge between physics and chemistry

Materials Chemistry Frontiers
2025 | Journal article
DOI: 10.1039/D4QM00766B
Contributors: Alexandra Siklitskaya; Tomasz Bednarek; James Pogrebetsky; Adam Kubas
Source: check_circle
Crossref

Cationic−anionic complexes of Cu(ii) and Co(ii) with N-scorpionate ligand – structure, spectroscopy, and catecholase activity

Dalton Transactions
2025 | Journal article
DOI: 10.1039/D4DT03478C
Contributors: Małgorzata Zienkiewicz-Machnik; Roman Luboradzki; Justyna Mech-Piskorz; Gonzalo Angulo; Wojciech Nogala; Tomasz Ratajczyk; Pavlo Aleshkevych; Adam Kubas
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Crossref

Transfer of highly hydrophilic ions between immiscible liquids at the three-phase junction using a squaramide-based ion pair receptor

Electrochimica Acta
2025-03 | Journal article
DOI: 10.1016/j.electacta.2025.145778
Contributors: Julia Maciejewska-Komorowska; Karolina Peret; Adam Kubas; Marta Zaleskaya-Hernik; Jan Romański; Marcin Karbarz; Łukasz Górski; Martin Jönsson-Niedziółka
Source: check_circle
Crossref

Luminescent Alkylaluminium Anthranilates Reaching Unity Quantum Yield in the Condensed Phase

Angewandte Chemie International Edition
2025-03-11 | Journal article
DOI: 10.1002/anie.202501985
Contributors: Vadim Szejko; Iwona Justyniak; Maria Jędrzejewska; Grzegorz Jędrzejczyk; Thea‐Luise Precht; Adam Kubas; Andrew E. H. Wheatley; Janusz Lewiński
Source: check_circle
Crossref

Luminescent Alkylaluminium Anthranilates Reaching Unity Quantum Yield in the Condensed Phase

Angewandte Chemie
2025-03-11 | Journal article
DOI: 10.1002/ange.202501985
Contributors: Vadim Szejko; Iwona Justyniak; Maria Jędrzejewska; Grzegorz Jędrzejczyk; Thea‐Luise Precht; Adam Kubas; Andrew E. H. Wheatley; Janusz Lewiński
Source: check_circle
Crossref

Mixed Emission of Acenaphtho[1,2-b] Quinoxaline Regioisomers

The Journal of Physical Chemistry C
2025-01-30 | Journal article
DOI: 10.1021/acs.jpcc.4c06867
Contributors: Dharmendra Kumar; Krzysztof Bartkowski; Bartosz Kamiński; Emran Masoumifeshani; Piotr Ślęczkowski; Adam Kubas; Przemysław Data; Marcin Lindner
Source: check_circle
Crossref

An unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-indole-annulated naphthalene imide and auxiliary donors

Chemical Science
2024 | Journal article
DOI: 10.1039/D4SC01391C
Contributors: Magdalena Grzelak; Dharmendra Kumar; Michał Andrzej Kochman; Maja Morawiak; Gabriela Wiosna-Sałyga; Adam Kubas; Przemysław Data; Marcin Lindner
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Crossref

Controlled hydrolysis of AlMe3 to tetramethylalumoxane and a new look at incipient adducts with water

Chemical Communications
2024 | Journal article
DOI: 10.1039/D4CC03672G
Contributors: Krzesimir Korona; Iwona Justyniak; James Pogrebetsky; Marta Lemieszka; Piotr Bernatowicz; Antoni Pietrzykowski; Adam Kubas; Janusz Lewiński
Source: check_circle
Crossref

Synthesis, photophysical characterisation, quantum-chemical study and in vitro antiproliferative activity of cyclometalated Ir(iii) complexes based on 3,5-dimethyl-1-phenyl-1H-pyrazole and N,N-donor ligands

Dalton Transactions
2024 | Journal article
DOI: 10.1039/D4DT01796J
Contributors: Joanna Masternak; Karol Okła; Adam Kubas; Jiří Voller; Karolína Kozlanská; Małgorzata Zienkiewicz-Machnik; Agnieszka Gilewska; Jerzy Sitkowski; Anna Kamecka; Katarzyna Kazimierczuk et al.
Source: check_circle
Crossref

Correction to “Regioisomerism vs Conformation: Impact of Molecular Design on the Emission Pathway in Organic Light-Emitting Device Emitters”

ACS Applied Materials & Interfaces
2024-09-25 | Journal article
DOI: 10.1021/acsami.4c13359
Contributors: Prasannamani Govindharaj; Aleksandra J. Wierzba; Karolina Kęska; Michał Andrzej Kochman; Gabriela Wiosna-Sałyga; Adam Kubas; Przemysław Data; Marcin Lindner
Source: check_circle
Crossref

An overview of physical and chemical long-range phenomena governed by Friedel oscillations: a~bridge between physics and chemistry

2024-09-04 | Preprint
DOI: 10.26434/chemrxiv-2024-9w4t7
Contributors: Alexandra Siklitskaya; Tomasz Bednarek; James Pogrebetsky; Adam Kubas
Source: check_circle
Crossref

Fresh Impetus in the Chemistry of Calcium Peroxides

Journal of the American Chemical Society
2024-07-17 | Journal article
DOI: 10.1021/jacs.4c00906
Contributors: Arkadiusz Kornowicz; Tomasz Pietrzak; Krzesimir Korona; Michał Terlecki; Iwona Justyniak; Adam Kubas; Janusz Lewiński
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Crossref

Uncovering Factors Controlling Reactivity of Metal‐TEMPO Reaction Systems in the Solid State and Solution

Chemistry – A European Journal
2024-07-04 | Journal article
DOI: 10.1002/chem.202401968
Contributors: Krzysztof Budny‐Godlewski; Dariusz G. Piekarski; Iwona Justyniak; Michał K. Leszczyński; Jan Nawrocki; Adam Kubas; Janusz Lewiński
Source: check_circle
Crossref

Regioisomerism vs Conformation: Impact of Molecular Design on the Emission Pathway in Organic Light-Emitting Device Emitters

ACS Applied Materials & Interfaces
2024-04-26 | Journal article
DOI: 10.1021/acsami.3c19212
Contributors: Prasannamani Govindharaj; Aleksandra J. Wierzba; Karolina Kęska; Michał Andrzej Kochman; Gabriela Wiosna-Sałyga; Adam Kubas; Przemysław Data; Marcin Lindner
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Crossref

V-shaped donor–acceptor organic emitters. A new approach towards efficient TADF OLED devices

Chemical Communications
2023 | Journal article
DOI: 10.1039/D2CC06978D
Contributors: Wojciech Derkowski; Dharmandra Kumar; Tomasz Gryber; Jakub Wagner; Maja Morawiak; Michał Andrzej Kochman; Adam Kubas; Przemysław Data; Marcin Lindner
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Crossref

Spectroelectrochemical and Computational Study of Quinoline Based Molecules - Potential Anti-Alzheimer’s Drugs

ECS Meeting Abstracts
2023-12-22 | Journal article
DOI: 10.1149/MA2023-02542545mtgabs
Contributors: Magdalena Z. Wiloch; Dariusz G. Piekarski; Natalia Baran; Adam Kubas; Martin Jönsson-Niedziółka
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Crossref

Facile Functionalization of Ambipolar, Nitrogen-Doped PAHs toward Highly Efficient TADF OLED Emitters

ACS Applied Materials & Interfaces
2023-08-09 | Journal article
DOI: 10.1021/acsami.3c07552
Contributors: Jakub Wagner; Dharmendra Kumar; Michał Andrzej Kochman; Tomasz Gryber; Magdalena Grzelak; Adam Kubas; Przemysław Data; Marcin Lindner
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Crossref

MP2-Based Correction Scheme to Approach the Limit of a Complete Pair Natural Orbitals Space in DLPNO-CCSD(T) Calculations

Journal of Chemical Theory and Computation
2023-07-11 | Journal article
DOI: 10.1021/acs.jctc.3c00444
Contributors: James Pogrebetsky; Alexandra Siklitskaya; Adam Kubas
Source: check_circle
Crossref

Aqueous-phase photo-oxidation of selected green leaf volatiles initiated by OH radicals: Products and atmospheric implications

Science of The Total Environment
2023-06 | Journal article
DOI: 10.1016/j.scitotenv.2023.162622
Contributors: Kumar Sarang; Tobias Otto; Sahir Gagan; Krzysztof Rudzinski; Thomas Schaefer; Martin Brüggemann; Irena Grgić; Adam Kubas; Hartmut Herrmann; Rafal Szmigielski
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Crossref

Simulation and analysis of the relaxation dynamics of a photochromic furylfulgide

Physical Chemistry Chemical Physics
2022 | Journal article
DOI: 10.1039/D2CP02143A
Contributors: Michał Andrzej Kochman; Tomasz Gryber; Bo Durbeej; Adam Kubas
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Crossref

Tandem rigidification and π-extension as a key tool for the development of a narrow linewidth yellow hyperfluorescent OLED system

Chemical Science
2022 | Journal article
DOI: 10.1039/D2SC03342A
Contributors: Krzysztof Bartkowski; Paola Zimmermann Crocomo; Michał Andrzej Kochman; Dharmandra Kumar; Adam Kubas; Przemysław Data; Marcin Lindner
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Crossref

Chromophore hydrolysis and release from photoactivated rhodopsin in native membranes

Proceedings of the National Academy of Sciences
2022-11-08 | Journal article
DOI: 10.1073/pnas.2213911119
Contributors: John D. Hong; David Salom; Michał Andrzej Kochman; Adam Kubas; Philip D. Kiser; Krzysztof Palczewski
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Crossref

A New Look at Molecular and Electronic Structure of Homoleptic Diiron(II,II) Complexes with N,N‐Bidentate Ligands: Combined Experimental and Theoretical Study

Chemistry – A European Journal
2022-07-15 | Journal article
DOI: 10.1002/chem.202200620
Contributors: Krzesimir Korona; Michał Terlecki; Iwona Justyniak; Michał Magott; Jan Żukrowski; Arkadiusz Kornowicz; Dawid Pinkowicz; Adam Kubas; Janusz Lewiński
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Crossref

Modular Nitrogen‐Doped Concave Polycyclic Aromatic Hydrocarbons for High‐Performance Organic Light‐Emitting Diodes with Tunable Emission Mechanisms**

Angewandte Chemie
2022-07-04 | Journal article
DOI: 10.1002/ange.202202232
Contributors: Jakub Wagner; Paola Zimmermann Crocomo; Michał Andrzej Kochman; Adam Kubas; Przemysław Data; Marcin Lindner
Source: check_circle
Crossref

Modular Nitrogen‐Doped Concave Polycyclic Aromatic Hydrocarbons for High‐Performance Organic Light‐Emitting Diodes with Tunable Emission Mechanisms**

Angewandte Chemie International Edition
2022-07-04 | Journal article
DOI: 10.1002/anie.202202232
Contributors: Jakub Wagner; Paola Zimmermann Crocomo; Michał Andrzej Kochman; Adam Kubas; Przemysław Data; Marcin Lindner
Source: check_circle
Crossref

HAB79: A new molecular dataset for benchmarking DFT and DFTB electronic couplings against high-level ab initio calculations

The Journal of Chemical Physics
2021-12-21 | Journal article
DOI: 10.1063/5.0076010
Contributors: Orestis George Ziogos; Adam Kubas; Zdenek Futera; Weiwei Xie; Marcus Elstner; Jochen Blumberger
Source: check_circle
Crossref

Simulation and Analysis of the Transient Absorption Spectrum of 4-(N,N-Dimethylamino)benzonitrile (DMABN) in Acetonitrile

The Journal of Physical Chemistry A
2021-10-07 | Journal article
DOI: 10.1021/acs.jpca.1c06166
Contributors: Michał Andrzej Kochman; Bo Durbeej; Adam Kubas
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Crossref

Theoretical Study of the Photoisomerization Mechanism of All-Trans-Retinyl Acetate

The Journal of Physical Chemistry A
2021-09-30 | Journal article
DOI: 10.1021/acs.jpca.1c05533
Contributors: Michał Andrzej Kochman; Krzysztof Palczewski; Adam Kubas
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Crossref

Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy

Journal of Medicinal Chemistry
2021-06-24 | Journal article
DOI: 10.1021/acs.jmedchem.1c00279
Contributors: Eliav Blum; Jianye Zhang; Jordan Zaluski; David E. Einstein; Edward E. Korshin; Adam Kubas; Arie Gruzman; Gregory P. Tochtrop; Philip D. Kiser; Krzysztof Palczewski
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Crossref

How the Donor/Acceptor Spin States Affect the Electronic Couplings in Molecular Charge-Transfer Processes?

Journal of Chemical Theory and Computation
2021-05-11 | Journal article
DOI: 10.1021/acs.jctc.1c00126
Contributors: A. Kubas
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Crossref

Towards High Efficacy of Pd-Au/C Catalyst for Tetrachloromethane Hydrodechlorination

Chemistry
2021-03-01 | Journal article
DOI: 10.3390/chemistry3010025
Contributors: Magdalena Bonarowska; Zbigniew Kaszkur; Krzysztof Matus; Alicja Drelinkiewicz; Tomasz Szumełda; Adam Kubas
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

Interaction of light with a non-covalent zinc porphyrin–graphene oxide nanohybrid

Physical Chemistry Chemical Physics
2020 | Journal article
DOI: 10.1039/D0CP02545C
Contributors: Ewelina Gacka; Gotard Burdzinski; Bronisław Marciniak; Adam Kubas; Anna Lewandowska-Andralojc
Source: check_circle
Crossref

Boosting the Performance of Nano-Ni Catalysts by Palladium Doping in Flow Hydrogenation of Sulcatone

Catalysts
2020-11-02 | Journal article
DOI: 10.3390/catal10111267
Contributors: Ilona Goszewska; Małgorzata Zienkiewicz-Machnik; Wojciech Błachucki; Adam Kubas; Damian Giziński; Krzysztof Matus; Kostiantyn Nikiforow; Dmytro Lisovytskiy; Anna Śrębowata; Jakub Szlachetko et al.
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grade
Preferred source (of 2)‎

Characterization of charge transfer excited states in [2Fe–2S] iron–sulfur clusters using conventional configuration interaction techniques

Theoretical Chemistry Accounts
2020-07 | Journal article
DOI: 10.1007/s00214-020-02635-7
Contributors: Adam Kubas
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Crossref

Catalytic synthesis of 9-cis-retinoids: mechanistic insights

Dalton Transactions
2019 | Journal article
DOI: 10.1039/C9DT02189B
Contributors: Shirin Kahremany; Adam Kubas; Gregory P. Tochtrop; Krzysztof Palczewski
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Crossref
grade
Preferred source (of 2)‎

In vitro SOD-like activity of mono- and di-copper complexes with a phosphonate substituted SALAN-type ligand

Chemico-Biological Interactions
2019 | Journal article
DOI: https://doi.org/10.1016/j.cbi.2019.04.003
Source: Self-asserted source
Adam Kubas
grade
Preferred source (of 2)‎

Z-isomerization of retinoids through combination of monochromatic photoisomerization and metal catalysis

Organic & Biomolecular Chemistry
2019 | Journal article
DOI: 10.1039/C9OB01645G
Contributors: Shirin Kahremany; Christopher Lane Sander; Gregory P. Tochtrop; Adam Kubas; Krzysztof Palczewski
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Crossref
grade
Preferred source (of 2)‎

Noncovalent Porphyrin–Graphene Oxide Nanohybrids: The pH-Dependent Behavior

The Journal of Physical Chemistry C
2019-02-14 | Journal article
DOI: 10.1021/acs.jpcc.8b11374
Contributors: Ewelina Gacka; Aleksandra Wojcik; Marta Mazurkiewicz-Pawlicka; Artur Malolepszy; Leszek Stobiński; Adam Kubas; Gordon L. Hug; Bronislaw Marciniak; Anna Lewandowska-Andralojc
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Crossref
grade
Preferred source (of 2)‎

Hidden gapless states during thermal transformations of preorganized zinc alkoxides to zinc oxide nanocrystals

Materials Horizons
2018 | Journal article
DOI: 10.1039/C8MH00106E
Contributors: Jakub Szlachetko; Adam Kubas; Anna Maria Cieślak; Kamil Sokołowski; Łukasz Mąkolski; Joanna Czapla-Masztafiak; Jacinto Sá; Janusz Lewiński
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Crossref
grade
Preferred source (of 2)‎

Restricted Open-Shell Configuration Interaction Singles Study on M- and L-edge X-ray Absorption Spectroscopy of Solid Chemical Systems

Journal of Chemical Theory and Computation
2018 | Journal article
DOI: 10.1021/acs.jctc.8b00302
EID:

2-s2.0-85049304199
Contributors: Kubas, A.; Verkamp, M.; Vura-Weis, J.; Neese, F.; Maganas, D.
Source: Self-asserted source
Adam Kubas via Scopus - Elsevier

Mechanism of hydrolysis of a platinum(IV) complex discovered by atomic telemetry

Journal of Inorganic Biochemistry
2018-10 | Journal article
DOI: 10.1016/j.jinorgbio.2018.07.012
Contributors: Joanna Czapla-Masztafiak; Adam Kubas; Yves Kayser; Daniel L.A. Fernandes; Wojciech M. Kwiatek; Ewelina Lipiec; Glen B. Deacon; Khansa Al-Jorani; Bayden R. Wood; Jakub Szlachetko et al.
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A combined experimental and theoretical spectroscopic protocol for determination of the structure of heterogeneous catalysts: developing the information content of the resonance Raman spectra of M1 MoVO x

Chemical science
2017 | Journal article
DOI: 10.1039/c7sc01771e
EID:

2-s2.0-85027833965
Source: Self-asserted source
Adam Kubas
grade
Preferred source (of 2)‎

Mechanism of O 2 diffusion and reduction in FeFe hydrogenases

Nature chemistry
2017 | Journal article
DOI: 10.1038/nchem.2592
EID:

2-s2.0-85015303541
Source: Self-asserted source
Adam Kubas
grade
Preferred source (of 3)‎

Tuning nano-nickel selectivity with tin in flow hydrogenation of 6-methyl-5-hepten-2-one by surface organometallic chemistry modification

Catalysis Today
2017 | Journal article
DOI: 10.1016/j.cattod.2017.08.062
EID:

2-s2.0-85028752183
Source: Self-asserted source
Adam Kubas
grade
Preferred source (of 2)‎

Surface adsorption energetics studied with “Gold Standard” wave-function-based Ab initio methods: Small-molecule binding to TiO2 (110)

The journal of physical chemistry letters
2016 | Journal article
DOI: 10.1021/acs.jpclett.6b01845
EID:

2-s2.0-84992221154
Source: Self-asserted source
Adam Kubas
grade
Preferred source (of 2)‎

Effect of the Variation of the Bond Length on Laser-Induced Spin-Flip Scenarios at Ni 2

Ultrafast Magnetism I
2015 | Book chapter
DOI: 10.1007/978-3-319-07743-7_51
EID:

2-s2.0-84910598506
Source: Self-asserted source
Adam Kubas
grade
Preferred source (of 2)‎

Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT and FODFTB against high-level ab initio calculations. II

Physical Chemistry Chemical Physics
2015 | Journal article
DOI: 10.1039/c4cp04749d
EID:

2-s2.0-84930686267
Source: Self-asserted source
Adam Kubas
grade
Preferred source (of 2)‎

Erratum:“Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations”[J. Chem. Phys. 140, 104105 (2014)]

The Journal of chemical physics
2015 | Journal article
DOI: 10.1063/1.4916382
EID:

2-s2.0-84961290002
Source: Self-asserted source
Adam Kubas
grade
Preferred source (of 2)‎

Identification of mutational hot spots for substrate diffusion: Application to myoglobin

Journal of chemical theory and computation
2015 | Journal article
DOI: 10.1021/ct5011455
EID:

2-s2.0-84927947518
Source: Self-asserted source
Adam Kubas
grade
Preferred source (of 2)‎

Aerobic Damage to [FeFe]-Hydrogenases: Activation Barriers for the Chemical Attachment of O2

Angewandte Chemie
2014 | Journal article
DOI: 10.1002/anie.201400534
EID:

2-s2.0-84898906838
Source: Self-asserted source
Adam Kubas
grade
Preferred source (of 2)‎
Items per page:
Page 1 of 2

Peer review (13 reviews for 10 publications/grants)

Review activity for Applied physics. (1)
Review activity for Catalysts. (1)
Review activity for Chemistry (1)
Review activity for Chemistry. (2)
Review activity for Journal of chemical physics. (1)
Review activity for Journal of chemical theory and computation : (1)
Review activity for Journal of organic chemistry. (1)
Review activity for Journal of physical chemistry. (2)
Review activity for The journal of physical chemistry. (2)
Review activity for The journal of physical chemistry. (1)
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