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ResearcherID: H-1091-2014
Scopus Author ID: 56940697100

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Employment (5)

University of Chemistry and Technology: Prague, CZ

2024-08-01 to present | Assistant Professor (Department of Physical Chemistry)
Employment
Source: Self-asserted source
Daniel Bím

Institute of Organic Chemistry and Biochemistry AS CR: Prague, CZ

2023-08 to present | Researcher | MSCA Fellow
Employment
Source: Self-asserted source
Daniel Bím

California Institute of Technology: Pasadena, CA, US

2021-08-01 to 2023-07-31 | Postdoctoral Researcher | MSCA Fellow (CCE Division)
Employment
Source: Self-asserted source
Daniel Bím

University of California Los Angeles: Los Angeles, CA, US

2019-10-01 to 2021-07-31 | Postdoctoral researcher (Chemistry & Biochemistry)
Employment
Source: Self-asserted source
Daniel Bím

Charles University, Faculty of Science: Prague, CZ

2015-09 to 2019-06 | PhD Student
Employment
Source: Self-asserted source
Daniel Bím

Works (37)

Methods for Theoretical Treatment of Local Fields in Proteins and Enzymes

Chemical Reviews
2025-02-24 | Journal article | Author
DOI: 10.1021/acs.chemrev.4c00471
Part of ISSN: 0009-2665
Part of ISSN: 1520-6890
Contributors: Mark Eberhart; Anastassia Alexandrova; Pujan Ajmera; Daniel Bím; Shobhit S. Chaturvedi; Santiago Vargas; Timothy Wilson
Source: Self-asserted source
Daniel Bím

Bioinspired intramolecular spirocyclopropanation of quinones as an interrupted photoredox process

Organic Chemistry Frontiers
2024 | Journal article | Author
DOI: 10.1039/d4qo01291g
Part of ISSN: 2052-4129
Contributors: Alexander Fadeev; Daniel Bím; Ivana Císařová; Martin Kotora
Source: Self-asserted source
Daniel Bím

Toward liquid cell quantum sensing: Ytterbium complexes with ultranarrow absorption

Science
2024-08-09 | Journal article | Author
DOI: 10.1126/science.adf7577
Part of ISSN: 0036-8075
Part of ISSN: 1095-9203
Contributors: Ashley Jiwon Shin; Changling Zhao; yi shen; Claire Dickerson; Barry (Yangtao) Li; Hootan Roshandel; Daniel Bím; Timothy L. Atallah; Paul Oyala; Yongjia He et al.
Source: Self-asserted source
Daniel Bím

Mechanisms of Photoredox Catalysis Featuring Nickel–Bipyridine Complexes

ACS Catalysis
2024-06-07 | Journal article | Author
DOI: 10.1021/acscatal.4c02036
Part of ISSN: 2155-5435
Part of ISSN: 2155-5435
Contributors: David Cagan; Daniel Bím; Nathanael Kazmierczak; Ryan Hadt
Source: Self-asserted source
Daniel Bím

Light Activation and Photophysics of a Structurally Constrained Nickel(II)–Bipyridine Aryl Halide Complex

Inorganic Chemistry
2024-03-04 | Journal article | Author
DOI: 10.1021/acs.inorgchem.3c03822
Part of ISSN: 0020-1669
Part of ISSN: 1520-510X
Contributors: Daniel Bím; Kaitlin Luedecke; David Cagan; Ryan Hadt
Source: Self-asserted source
Daniel Bím

From random to rational: improving enzyme design through electric fields, second coordination sphere interactions, and conformational dynamics

Chemical Science
2023 | Journal article | Author
DOI: 10.1039/d3sc02982d
Part of ISSN: 2041-6520
Part of ISSN: 2041-6539
Contributors: Shobhit S. Chaturvedi; Daniel Bím; Christov Christo; Anastassia Alexandrova
Source: Self-asserted source
Daniel Bím

Electronic Structures of Nickel(II)-Bis(indanyloxazoline)-dihalide Catalysts: Understanding Ligand Field Contributions That Promote C(sp2)–C(sp3) Cross-Coupling

Inorganic Chemistry
2023-08-28 | Journal article | Author
DOI: 10.1021/acs.inorgchem.3c02048
Part of ISSN: 0020-1669
Part of ISSN: 1520-510X
Contributors: Brendon McNicholas; Z. Jaron Tong; Daniel Bím; Raymond Turro; Nathanael Kazmierczak; Jakub Chalupský; Sarah Reisman; Ryan Hadt
Source: Self-asserted source
Daniel Bím

Electrochemical Carbon Dioxide Capture and Concentration

Chemical Reviews
2023-07-12 | Journal article | Author
DOI: 10.1021/acs.chemrev.2c00681
Part of ISSN: 0009-2665
Part of ISSN: 1520-6890
Contributors: Alessandra Zito; Lauren E. Clarke; Jeffrey M. Barlow; Daniel Bím; Zisheng Zhang; Katelyn M. Ripley; Clarabella J. Li; Amanda Kummeth; McLain E. Leonard; Anastassia Alexandrova et al.
Source: Self-asserted source
Daniel Bím

Photogenerated Ni(I)–Bipyridine Halide Complexes: Structure–Function Relationships for Competitive C(sp2)–Cl Oxidative Addition and Dimerization Reactivity Pathways

Inorganic Chemistry
2023-06-19 | Journal article | Author
DOI: 10.1021/acs.inorgchem.3c00917
Part of ISSN: 0020-1669
Part of ISSN: 1520-510X
Contributors: David Cagan; Daniel Bím; Brendon McNicholas; Nathanael Kazmierczak; Paul Oyala; Ryan Hadt
Source: Self-asserted source
Daniel Bím

Understanding desaturation/hydroxylation activity of castor stearoyl Δ9-Desaturase through rational mutagenesis

Computational and Structural Biotechnology Journal
2022 | Journal article
DOI: 10.1016/j.csbj.2022.03.010
Part of ISSN: 2001-0370
Contributors: Daniel Bím
Source: Self-asserted source
Daniel Bím

Computational and Experimental Design of Quinones for Electrochemical CO2 Capture and Concentration

ACS Sustainable Chemistry & Engineering
2022-08-15 | Journal article
DOI: 10.1021/acssuschemeng.2c03463
Part of ISSN: 2168-0485
Part of ISSN: 2168-0485
Contributors: Daniel Bím
Source: Self-asserted source
Daniel Bím

Elucidating the Mechanism of Excited-State Bond Homolysis in Nickel–Bipyridine Photoredox Catalysts

Journal of the American Chemical Society
2022-04-13 | Journal article
DOI: 10.1021/jacs.2c01356
Part of ISSN: 0002-7863
Part of ISSN: 1520-5126
Contributors: Daniel Bím
Source: Self-asserted source
Daniel Bím

Predicting Effects of Site-Directed Mutagenesis on Enzyme Kinetics by QM/MM and QM Calculations: A Case of Glutamate Carboxypeptidase II

The Journal of Physical Chemistry B
2022-01-13 | Journal article
DOI: 10.1021/acs.jpcb.1c09240
Part of ISSN: 1520-6106
Part of ISSN: 1520-5207
Contributors: Daniel Bím
Source: Self-asserted source
Daniel Bím

Electrostatic regulation of blue copper sites

Chemical Science
2021 | Journal article
DOI: 10.1039/d1sc02233d
Part of ISSN: 2041-6520
Part of ISSN: 2041-6539
Contributors: Daniel Bím
Source: Self-asserted source
Daniel Bím

Local Electric Fields As a Natural Switch of Heme-Iron Protein Reactivity

ACS Catalysis
2021-06-04 | Journal article
DOI: 10.1021/acscatal.1c00687
Part of ISSN: 2155-5435
Part of ISSN: 2155-5435
Contributors: Daniel Bím
Source: Self-asserted source
Daniel Bím

Proton-Electron Transfer to the Active Site Is Essential for the Reaction Mechanism of Soluble Δ<sup>9</sup>-Desaturase

Journal of the American Chemical Society
2020 | Journal article
DOI: 10.1021/jacs.0c01786
EID:

2-s2.0-85086355292

Part of ISBN:

15205126
Contributors: Bím, D.; Chalupský, J.; Culka, M.; Solomon, E.I.; Rulíšek, L.; Srnec, M.
Source: Self-asserted source
Daniel Bím via Scopus - Elsevier

From Synthetic to Biological Fe4S4 Complexes: Redox Properties Correlated to Function of Radical S‐Adenosylmethionine Enzymes

ChemPlusChem
2020-11 | Journal article
DOI: 10.1002/cplu.202000663
Part of ISSN: 2192-6506
Part of ISSN: 2192-6506
Contributors: Daniel Bím
Source: Self-asserted source
Daniel Bím

Dissecting the Temperature Dependence of Electron-Proton Transfer Reactivity

Journal of Physical Chemistry C
2019 | Journal article
DOI: 10.1021/acs.jpcc.9b07375
EID:

2-s2.0-85072307154

Part of ISBN:

19327455 19327447
Contributors: Bím, D.; Maldonado-Domínguez, M.; Fučík, R.; Srnec, M.
Source: Self-asserted source
Daniel Bím via Scopus - Elsevier

Preparation and redox properties of fluorinated 1,3-diphenylisobenzofurans

Electrochimica Acta
2019 | Journal article
DOI: 10.1016/j.electacta.2019.134659
EID:

2-s2.0-85070671765

Part of ISBN:

00134686
Contributors: Kaleta, J.; Šimková, L.; Liška, A.; Bím, D.; Madridejos, J.M.L.; Pohl, R.; Rulíšek, L.; Michl, J.; Ludvík, J.
Source: Self-asserted source
Daniel Bím via Scopus - Elsevier

Preparation of (Pentafluorosulfanyl)benzenes by Direct Fluorination of Diaryldisulfides: Synthetic Approach and Mechanistic Aspects

Chemistry - A European Journal
2019 | Journal article
DOI: 10.1002/chem.201902651
EID:

2-s2.0-85070676635

Part of ISBN:

15213765 09476539
Contributors: Ajenjo, J.; Klepetářová, B.; Greenhall, M.; Bím, D.; Culka, M.; Rulíšek, L.; Beier, P.
Source: Self-asserted source
Daniel Bím via Scopus - Elsevier

Reactive mode composition factor analysis of transition states: The case of coupled electron-proton transfers

Physical Chemistry Chemical Physics
2019 | Journal article
DOI: 10.1039/c9cp05131g
EID:

2-s2.0-85075619564

Part of ISBN:

14639076
Contributors: Maldonado-Domínguez, M.; Bím, D.; Fučík, R.; Čurík, R.; Srnec, M.
Source: Self-asserted source
Daniel Bím via Scopus - Elsevier

Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors

Bioorganic and Medicinal Chemistry
2019 | Journal article
DOI: 10.1016/j.bmc.2018.11.022
EID:

2-s2.0-85058053256

Part of ISBN:

14643391 09680896
Contributors: Barinka, C.; Novakova, Z.; Hin, N.; Bím, D.; Ferraris, D.V.; Duvall, B.; Kabarriti, G.; Tsukamoto, R.; Budesinsky, M.; Motlova, L. et al.
Source: Self-asserted source
Daniel Bím via Scopus - Elsevier

Beyond the classical thermodynamic contributions to hydrogen atom abstraction reactivity

Proceedings of the National Academy of Sciences of the United States of America
2018 | Journal article
DOI: 10.1073/pnas.1806399115
EID:

2-s2.0-85055636055

Part of ISBN:

10916490 00278424
Contributors: Bím, D.; Maldonado-Domínguez, M.; Rulísek, L.; Srnec, M.
Source: Self-asserted source
Daniel Bím via Scopus - Elsevier

Computational Electrochemistry as a Reliable Probe of Experimentally Elusive Mononuclear Nonheme Iron Species

Journal of Physical Chemistry C
2018 | Journal article
DOI: 10.1021/acs.jpcc.8b02698
EID:

2-s2.0-85046545972

Part of ISBN:

19327455 19327447
Contributors: Bím, D.; Rulíšek, L.; Srnec, M.
Source: Self-asserted source
Daniel Bím via Scopus - Elsevier

Macrocycle Conformational Sampling by DFT-D3/COSMO-RS Methodology

Journal of Chemical Information and Modeling
2018 | Journal article
DOI: 10.1021/acs.jcim.7b00453
ARXIV:

https://doi.org/10.1021/acs.jcim.7b00453

Source: Self-asserted source
Daniel Bím
grade
Preferred source (of 2)‎

Near-UV Water Splitting by Cu, Ni, and Co Complexes in the Gas Phase

Journal of Physical Chemistry A
2018 | Journal article
DOI: 10.1021/acs.jpca.7b12445
EID:

2-s2.0-85042756985

Part of ISBN:

15205215 10895639
Contributors: Dang, A.; Shaffer, C.J.; Bím, D.; Lawler, J.; Lesslie, M.; Ryzhov, V.; Tureček, F.
Source: Self-asserted source
Daniel Bím via Scopus - Elsevier

Toward a selective activation of inert c–h bonds,Cesta k selektivní aktivaci inertních vazeb c–h

Chemicke Listy
2018 | Journal article
EID:

2-s2.0-85056655003

Part of ISBN:

12137103 00092770
Contributors: Bím, D.; Srnec, M.
Source: Self-asserted source
Daniel Bím via Scopus - Elsevier

Toward Accurate Conformational Energies of Smaller Peptides and Medium-Sized Macrocycles: MPCONF196 Benchmark Energy Data Set

Journal of Chemical Theory and Computation
2018 | Journal article
DOI: 10.1021/acs.jctc.7b01074
EID:

2-s2.0-85043998487

Part of ISBN:

15499626 15499618
Contributors: Řezáč, J.; Bím, D.; Gutten, O.; Rulíšek, L.
Source: Self-asserted source
Daniel Bím via Scopus - Elsevier

Cytosine Radical Cations: A Gas-Phase Study Combining IRMPD Spectroscopy, UVPD Spectroscopy, Ion-Molecule Reactions, and Theoretical Calculations

Chemphyschem
2017 | Journal article
DOI: 10.1002/cphc.201700281
WOSUID:

WOS:000402713200011
Contributors: Lesslie, Michael; Lawler, John T.; Dang, Andy; Korn, Joseph A.; Bim, Daniel; Steinmetz, Vincent; Maitre, Philippe; Turecek, Frantisek; Ryzhov, Victor
Source: Self-asserted source
Daniel Bím via ResearcherID
grade
Preferred source (of 2)‎

Increase in Solubility of Poorly-Ionizable Pharmaceuticals by Salt Formation: A Case of Agomelatine Sulfonates

Crystal Growth & Design
2017 | Journal article
DOI: 10.1021/acs.cgd.7b00805
ARXIV:

https://doi.org/10.1021/acs.cgd.7b00805

Source: Self-asserted source
Daniel Bím
grade
Preferred source (of 2)‎

Radical Reactions Affecting Polar Groups in Threonine Peptide Ions.

The journal of physical chemistry. B
2017 | Journal article
DOI: 10.1021/acs.jpcb.7b04661
WOSUID:

MEDLINE:28613881
Contributors: Nguyen, Huong T H; Andrikopoulos, Prokopis C; Bim, Daniel; Rulisek, Lubomir; Dang, Andy; Turecek, Frantisek
Source: Self-asserted source
Daniel Bím via ResearcherID
grade
Preferred source (of 2)‎

Accurate Prediction of One-Electron Reduction Potentials in Aqueous Solution by Variable-Temperature H-Atom Addition/Abstraction Methodology

Journal of Physical Chemistry Letters
2016 | Journal article
DOI: 10.1021/acs.jpclett.5b02452
WOSUID:

WOS:000367968700002
Contributors: Bim, Daniel; Rulisek, Lubomir; Srnec, Martin
Source: Self-asserted source
Daniel Bím via ResearcherID

Copper(II) and Zinc(II) Complexes of Conformationally Constrained Polyazamacrocycles as Efficient Catalysts for RNA Model Substrate Cleavage in Aqueous Solution at Physiological pH

Chemistry-a European Journal
2016 | Journal article
DOI: 10.1002/chem.201601175
WOSUID:

WOS:000380273300002
Contributors: Bim, Daniel; Svobodova, Eva; Eigner, Vaclav; Rulisek, Lubomir; Hodacova, Jana
Source: Self-asserted source
Daniel Bím via ResearcherID
grade
Preferred source (of 2)‎

Frontispiece: Copper(II) and Zinc(II) Complexes of Conformationally Constrained Polyazamacrocycles as Efficient Catalysts for RNA Model Substrate Cleavage in Aqueous Solution at Physiological pH

Chemistry - A European Journal
2016 | Journal article
DOI: 10.1002/chem.201683062
EID:

2-s2.0-84978428029
Contributors: Bím, D.; Svobodová, E.; Eigner, V.; Rulíšek, L.; Hodačová, J.
Source: Self-asserted source
Daniel Bím via Scopus - Elsevier

Mono- and binuclear non-heme iron chemistry from a theoretical perspective

Journal of Biological Inorganic Chemistry
2016 | Journal article
DOI: 10.1007/s00775-016-1357-8
WOSUID:

WOS:000382127000005
Contributors: Rokob, Tibor Andras; Chalupsky, Jakub; Bim, Daniel; Andrikopoulos, Prokopis C.; Srnec, Martin; Rulisek, Lubomir
Source: Self-asserted source
Daniel Bím via ResearcherID
grade
Preferred source (of 2)‎

Theoretical Bioinorganic Chemistry and Spectroscopy

Chemicke Listy
2016 | Journal article
WOSUID:

WOS:000376591500006
Contributors: Bim, Daniel; Gutten, Ondrej; Chalupsky, Jakub; Srnec, Martin; Rulisek, Lubomir
Source: Self-asserted source
Daniel Bím via ResearcherID

Synthetic Models of Metalloenzymes Capable of Catalyzing Phosphodiester Bond Cleavage

Chemicke Listy
2015 | Journal article
WOSUID:

WOS:000364529000002
Contributors: Bim, Daniel; Rulisek, Lubomir; Hodacova, Jana
Source: Self-asserted source
Daniel Bím via ResearcherID

Peer review (14 reviews for 6 publications/grants)

Review activity for Angewandte Chemie. (1)
Review activity for Journal of chemical theory and computation : (1)
Review activity for Journal of molecular modeling. (1)
Review activity for Journal of physical chemistry. (3)
Review activity for Journal of the American Chemical Society. (2)
Review activity for The journal of physical chemistry. (6)
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