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ENDOR Spectroscopy Reveals the “Free” 5′-Deoxyadenosyl Radical in a Radical SAM Enzyme Active Site Actually is Chaperoned by Close Interaction with the Methionine-Bound [4Fe–4S]2+ Cluster

Journal of the American Chemical Society, 2024-02, Vol.146 (6), p.3710-3720

2024

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Thermal properties of single-layer MoS2–WS2 alloys enabled by machine-learned interatomic potentials

Chemical communications (Cambridge, England), 2022-06, Vol.58 (49), p.6902-6905

2022

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Two-photon excited deep-red and near-infrared emissive organic co-crystals

Nature communications, 2020-09, Vol.11 (1), p.4633-4633, Article 4633

2020

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Thermal properties of single-layer MoS 2 -WS 2 alloys enabled by machine-learned interatomic potentials

Chemical communications (Cambridge, England), 2022-06, Vol.58 (49), p.6902-6905

2022

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Control of Charge Carriers and Band Structure in 2D Monolayer Molybdenum Disulfide via Covalent Functionalization

ACS applied materials & interfaces, 2020-01, Vol.12 (4), p.4607-4615

2020

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Dinitrogen activation at chromium by photochemically induced Cr II -C bond homolysis

Chemical communications (Cambridge, England), 2024-07, Vol.60 (55), p.7029-7032

2024

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Mechanism of Radical S‑Adenosyl- l-methionine Adenosylation: Radical Intermediates and the Catalytic Competence of the 5′-Deoxyadenosyl Radical

Journal of the American Chemical Society, 2022-03, Vol.144 (11), p.5087-5098

2022

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Secondary structure determines electron transport in peptides

Proceedings of the National Academy of Sciences - PNAS, 2024-08, Vol.121 (32), p.e2403324121

2024

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Investigation of p-type doping in β- and κ-Ga2O3

Journal of alloys and compounds, 2021-10, Vol.877, p.160227, Article 160227

2021

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Halide-free synthesis of metastable graphitic BC 3

Chemical science (Cambridge), 2024-03, Vol.15 (12), p.4358-4363

2024

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Atomic-Site-Specific Surface Valence-Band Structure from X-Ray Standing-Wave Excited Photoemission

Physical review letters, 2022-05, Vol.128 (20), p.206801-206801, Article 206801

2022

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Fragment-based time-dependent density functional theory

Physical review letters, 2013-07, Vol.111 (2), p.023001-023001, Article 023001

2013

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Atom vacancies and electronic transmission Stark effects in boron nanoflake junctions

Journal of materials chemistry. C, Materials for optical and electronic devices, 2020-11, Vol.8 (43), p.1528-15218

2020

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Anomalous Temperature and Polarization Dependences of Photoluminescence of Metal‐Organic Chemical Vapor Deposition‐Grown GeSe2

Advanced optical materials, 2024-01, Vol.12 (2), p.n/a

2024

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Multichromatic quantum superpositions in entangled two-photon absorption spectroscopy

Organic electronics, 2023-09, Vol.120, p.106858, Article 106858

2023

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Excited-state response theory within the context of the coupled-cluster formalism

Physical review. A, 2022-11, Vol.106 (5), Article 052805

Mosquera, Martín A.

2022

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Modeling of the anode side of a direct methanol fuel cell with analytical solutions

Electrochimica acta, 2009-01, Vol.54 (4), p.1233-1239

2009

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Front Cover: Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods (ChemPhysChem 5/2023)

Chemphyschem, 2023-03, Vol.24 (5), p.n/a

2023

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ENDOR Spectroscopy Reveals the "Free" 5'-Deoxyadenosyl Radical in a Radical SAM Enzyme Active Site Actually is Chaperoned by Close Interaction with the Methionine-Bound 4Fe-4S2+ Cluster

Journal of the American Chemical Society, 2024-02, Vol.146 (6), p.3710

2024

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Theoretical Analysis of the Nanoscale Composition, Tip-Enhanced Raman Spectroscopy, and Electronic Properties of Alloys in 2D MoS 2 –WS 2 Heterostructures

Journal of physical chemistry. C, 2022-06, Vol.126 (21), p.9099-9108

2022

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Halide-free synthesis of metastable graphitic BC

Chemical science (Cambridge), 2024-03, Vol.15 (12), p.4358-4363

2024

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Second Linear Response Theory and the Analytic Calculation of Excited-State Properties

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-01, Vol.125 (4)

2021

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Development of formalisms based on locally coupled open subsystems for calculations in molecular electronic structure and dynamics

Physical review. A, 2018-12, Vol.98 (6), Article 062505

2018

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Photoinduced Anomalous Coulomb Blockade and the Role of Triplet States in Electron Transport through an Irradiated Molecular Transistor

Nano letters, 2018-07, Vol.18 (8)

2018

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Quantum embedding for material chemistry based on domain separation and open subsystems

International journal of quantum chemistry, 2020-02

2020

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ENDOR Spectroscopy Reveals the “Free” 5′-Deoxyadenosyl Radical in a Radical SAM Enzyme Active Site Actually is Chaperoned by Close Interaction with the Methionine-Bound [4Fe–4S]2+ Cluster

Thermal properties of single-layer MoS2–WS2 alloys enabled by machine-learned interatomic potentials

Two-photon excited deep-red and near-infrared emissive organic co-crystals

Thermal properties of single-layer MoS 2 -WS 2 alloys enabled by machine-learned interatomic potentials

Control of Charge Carriers and Band Structure in 2D Monolayer Molybdenum Disulfide via Covalent Functionalization

Dinitrogen activation at chromium by photochemically induced Cr II -C bond homolysis

Mechanism of Radical S‑Adenosyl- l-methionine Adenosylation: Radical Intermediates and the Catalytic Competence of the 5′-Deoxyadenosyl Radical

Secondary structure determines electron transport in peptides

Investigation of p-type doping in β- and κ-Ga2O3

Halide-free synthesis of metastable graphitic BC 3

Atomic-Site-Specific Surface Valence-Band Structure from X-Ray Standing-Wave Excited Photoemission

Fragment-based time-dependent density functional theory

Atom vacancies and electronic transmission Stark effects in boron nanoflake junctions

Anomalous Temperature and Polarization Dependences of Photoluminescence of Metal‐Organic Chemical Vapor Deposition‐Grown GeSe2

Multichromatic quantum superpositions in entangled two-photon absorption spectroscopy

Excited-state response theory within the context of the coupled-cluster formalism

Modeling of the anode side of a direct methanol fuel cell with analytical solutions

Front Cover: Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods (ChemPhysChem 5/2023)

ENDOR Spectroscopy Reveals the "Free" 5'-Deoxyadenosyl Radical in a Radical SAM Enzyme Active Site Actually is Chaperoned by Close Interaction with the Methionine-Bound 4Fe-4S2+ Cluster

Theoretical Analysis of the Nanoscale Composition, Tip-Enhanced Raman Spectroscopy, and Electronic Properties of Alloys in 2D MoS 2 –WS 2 Heterostructures

Halide-free synthesis of metastable graphitic BC

Second Linear Response Theory and the Analytic Calculation of Excited-State Properties

Development of formalisms based on locally coupled open subsystems for calculations in molecular electronic structure and dynamics

Photoinduced Anomalous Coulomb Blockade and the Role of Triplet States in Electron Transport through an Irradiated Molecular Transistor

Quantum embedding for material chemistry based on domain separation and open subsystems

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