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Peptide Metal–Organic Frameworks for Enantioselective Separation of Chiral Drugs

Journal of the American Chemical Society, 2017-03, Vol.139 (12), p.4294-4297

2017

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Chemi- and Bioluminescence of Cyclic Peroxides

Chemical reviews, 2018-08, Vol.118 (15), p.6927-6974

2018

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Reconstruction of Nuclear Ensemble Approach Electronic Spectra Using Probabilistic Machine Learning

Journal of chemical theory and computation, 2022-05, Vol.18 (5), p.3052-3064

2022

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Quantum-Chemistry Study of the Photophysical Properties of 4‑Thiouracil and Comparisons with 2‑Thiouracil

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-03, Vol.128 (12), p.2273-2285

2024

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Gas-Phase Photolysis of Hg(I) Radical Species: A New Atmospheric Mercury Reduction Process

Journal of the American Chemical Society, 2019-06, Vol.141 (22), p.8698-8702

2019

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Resolving the Benzophenone DNA-Photosensitization Mechanism at QM/MM Level

The journal of physical chemistry letters, 2015-02, Vol.6 (4), p.576-580

2015

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Accurate Calculation of Excited-State Absorption for Small-to-Medium-Sized Conjugated Oligomers: Multiconfigurational Treatment vs Quadratic Response TD-DFT

Journal of chemical theory and computation, 2022-09, Vol.18 (9), p.5449-5458

2022

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Revisiting the Nonadiabatic Process in 1,2-Dioxetane

Journal of chemical theory and computation, 2013-12, Vol.9 (12), p.5404-5411

2013

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Mechanism of the OH Radical Addition to Adenine from Quantum-Chemistry Determinations of Reaction Paths and Spectroscopic Tracking of the Intermediates

Journal of organic chemistry, 2017-01, Vol.82 (1), p.276-288

2017

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Ultrafast Twisting of the Indoline Donor Unit Utilized in Solar Cell Dyes: Experimental and Theoretical Studies

Journal of physical chemistry. C, 2015-02, Vol.119 (5), p.2249-2259

2015

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Photoinduced Formation Mechanism of the Thymine–Thymine (6–4) Adduct

The journal of physical chemistry. B, 2013-02, Vol.117 (7), p.1999-2004

2013

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Effect of Iodination on the Photophysics of the Laser Borane anti-B18H22: Generation of Efficient Photosensitizers of Oxygen

Inorganic chemistry, 2019-08, Vol.58 (15), p.10248-10259

2019

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Regioselectivity of the OH Radical Addition to Uracil in Nucleic Acids. A Theoretical Approach Based on QM/MM Simulations

Journal of chemical theory and computation, 2017-10, Vol.13 (10), p.5089-5096

2017

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Theoretical Study of the Hydroxyl Radical Addition to Uracil and Photochemistry of the Formed U6OH• Adduct

The journal of physical chemistry. B, 2014-03, Vol.118 (11), p.2932-2939

2014

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Can the Closed-Shell DFT Methods Describe the Thermolysis of 1,2-Dioxetanone?

Journal of chemical theory and computation, 2012-11, Vol.8 (11), p.4359-4363

2012

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Determination of the Electron-Detachment Energies of 2′-Deoxyguanosine 5′-Monophosphate Anion: Influence of the Conformation

The journal of physical chemistry. B, 2009-02, Vol.113 (8), p.2451-2457

2009

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Luminescence in Crystalline Organic Materials: From Molecules to Molecular Solids

Advanced optical materials, 2021-07, Vol.9 (13), p.n/a

2021

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Ab initio determination of the ionization potentials of water clusters (H2O)n (n = 2-6)

The Journal of chemical physics, 2012-06, Vol.136 (24), p.244306-244306

2012

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Multiconfiguration second-order perturbation theory approach to strong electron correlation in chemistry and photochemistry

Wiley interdisciplinary reviews. Computational molecular science, 2012-07, Vol.2 (4), p.585-603

2012

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Molecular Basis of the Chemiluminescence Mechanism of Luminol

Chemistry : a European journal, 2019-04, Vol.25 (20), p.5202-5213

2019

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Photochemical and thermochemical pathways to S2 and polysulfur formation in the atmosphere of Venus

Nature communications, 2022-07, Vol.13 (1), p.4425-4425, Article 4425

2022

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Proton/Hydrogen Transfer Mechanisms in the Guanine–Cytosine Base Pair: Photostability and Tautomerism

Journal of chemical theory and computation, 2013-01, Vol.9 (1), p.481-496

2013

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Reaction of SO3 with HONO2 and Implications for Sulfur Partitioning in the Atmosphere

Journal of the American Chemical Society, 2022-05, Vol.144 (20), p.9172-9177

2022

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Solid State Luminescence Enhancement in π‑Conjugated Materials: Unraveling the Mechanism beyond the Framework of AIE/AIEE

Journal of physical chemistry. C, 2017-10, Vol.121 (41), p.23166-23183

2017

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The Chemistry of Bioluminescence: An Analysis of Chemical Functionalities

Chemphyschem, 2011-12, Vol.12 (17), p.3064-3076

2011

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Peptide Metal–Organic Frameworks for Enantioselective Separation of Chiral Drugs

Chemi- and Bioluminescence of Cyclic Peroxides

Reconstruction of Nuclear Ensemble Approach Electronic Spectra Using Probabilistic Machine Learning

Quantum-Chemistry Study of the Photophysical Properties of 4‑Thiouracil and Comparisons with 2‑Thiouracil

Gas-Phase Photolysis of Hg(I) Radical Species: A New Atmospheric Mercury Reduction Process

Resolving the Benzophenone DNA-Photosensitization Mechanism at QM/MM Level

Accurate Calculation of Excited-State Absorption for Small-to-Medium-Sized Conjugated Oligomers: Multiconfigurational Treatment vs Quadratic Response TD-DFT

Revisiting the Nonadiabatic Process in 1,2-Dioxetane

Mechanism of the OH Radical Addition to Adenine from Quantum-Chemistry Determinations of Reaction Paths and Spectroscopic Tracking of the Intermediates

Ultrafast Twisting of the Indoline Donor Unit Utilized in Solar Cell Dyes: Experimental and Theoretical Studies

Photoinduced Formation Mechanism of the Thymine–Thymine (6–4) Adduct

Effect of Iodination on the Photophysics of the Laser Borane anti-B18H22: Generation of Efficient Photosensitizers of Oxygen

Regioselectivity of the OH Radical Addition to Uracil in Nucleic Acids. A Theoretical Approach Based on QM/MM Simulations

Theoretical Study of the Hydroxyl Radical Addition to Uracil and Photochemistry of the Formed U6OH• Adduct

Can the Closed-Shell DFT Methods Describe the Thermolysis of 1,2-Dioxetanone?

Determination of the Electron-Detachment Energies of 2′-Deoxyguanosine 5′-Monophosphate Anion: Influence of the Conformation

Luminescence in Crystalline Organic Materials: From Molecules to Molecular Solids

Ab initio determination of the ionization potentials of water clusters (H2O)n (n = 2-6)

Multiconfiguration second-order perturbation theory approach to strong electron correlation in chemistry and photochemistry

Molecular Basis of the Chemiluminescence Mechanism of Luminol

Photochemical and thermochemical pathways to S2 and polysulfur formation in the atmosphere of Venus

Proton/Hydrogen Transfer Mechanisms in the Guanine–Cytosine Base Pair: Photostability and Tautomerism

Reaction of SO3 with HONO2 and Implications for Sulfur Partitioning in the Atmosphere

Solid State Luminescence Enhancement in π‑Conjugated Materials: Unraveling the Mechanism beyond the Framework of AIE/AIEE

The Chemistry of Bioluminescence: An Analysis of Chemical Functionalities

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