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Story of Hydroboration: Experimentally Generated Mechanistic Insights

Organometallics, 2023-07, Vol.42 (13), p.1573-1578

2023

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Base Stacking and Sugar Orientations Contribute to Chiral Recognition of Single-Walled Carbon Nanotubes by Short ssDNAs

Journal of physical chemistry. C, 2023-10, Vol.127 (39), p.19759-19768

2023

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Water-Mediated Interactions Enhance Alkaline Earth Cation Chelation in Neighboring Cavities of a Cytosine Quartet in the DNA Quadruplex

The journal of physical chemistry. B, 2021-11, Vol.125 (43), p.11996-12005

2021

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Electron–Vibrational Coupling and Fluorescence Spectra of Tetra‑, Penta‑, and Hexacoordinated Chlorophylls c 1 and c 2

The journal of physical chemistry. B, 2015-08, Vol.119 (32), p.10156-10169

2015

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Hydroboration of imines: intermolecular vs. intramolecular hydride transfer

New journal of chemistry, 2023-06, Vol.47 (24), p.11544-11556

2023

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Intriguing Intermolecular Interplay in Guanine Quartet Complexes with Alkali and Alkaline Earth Cations

The journal of physical chemistry. B, 2020-04, Vol.124 (15), p.3002-3014

2020

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O–H Stretch in Phenol and Its Hydrogen-Bonded Complexes: Band Position and Relaxation Pathways

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-01, Vol.116 (1), p.364-371

Petkovic, Milena

2012

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Carbodiphosphorane-Stabilized Parent Dioxophosphorane: A Valuable Synthetic HO2P Source

Journal of the American Chemical Society, 2022-04, Vol.144 (16), p.7357-7365

2022

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Alkaline earth cations binding mode tailors excited-state charge transfer properties of guanine quadruplex: A TDDFT study

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2022-02, Vol.267 (Pt 2), p.120584, Article 120584

2022

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Advances in verification of ReLU neural networks

Journal of global optimization, 2021-09, Vol.81 (1), p.109-152

2021

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Mechanistic insights on how hydroquinone disarms OH and OOH radicals

International journal of quantum chemistry, 2018-02, Vol.118 (4), p.n/a

2018

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Density functional theory study of crown ether-magnesium complexes: from a solvated ion to an ion trap

Physical chemistry chemical physics : PCCP, 2023-12, Vol.25 (47), p.32656-32665

2023

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Modulating Excited Charge-Transfer States of G‑Quartet Self-Assemblies by Earth Alkaline Cations and Hydration

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-10, Vol.124 (40), p.8101-8111

2020

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New Insight into Uracil Stacking in Water from ab Initio Molecular Dynamics

Journal of chemical theory and computation, 2018-05, Vol.14 (5), p.2621-2632

2018

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E–H (E = B, Si, C) Bond Activation by Tuning Structural and Electronic Properties of Phosphenium Cations

Inorganic chemistry, 2017-12, Vol.56 (23), p.14671-14681

2017

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When hydroquinone meets methoxy radical: Hydrogen abstraction reaction from the viewpoint of interacting quantum atoms

Journal of computational chemistry, 2018-09, Vol.39 (23), p.1868-1877

2018

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A new insight into the photochemistry of avobenzone in gas phase and acetonitrile from ab initio calculations

Physical chemistry chemical physics : PCCP, 2016-08, Vol.18 (32), p.22168-22178

2016

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Decorated crown ethers as selective ion traps: Solvent’s role in crown’s preference towards a specific ion

Journal of molecular liquids, 2023-07, Vol.381, p.121791, Article 121791

2023

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Synthesis, characterization, photophysical and electrochemical properties of new thiadiazole-based olefins for OLED applications

Journal of molecular structure, 2025-02, Vol.1321, p.140104, Article 140104

2025

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Using Density Functional Theory To Study Neutral and Ionized Stacked Thymine Dimers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-10, Vol.120 (39), p.7704-7713

2016

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Stability and Anharmonic N–H Stretching Frequencies of 1‑Methylthymine Dimers: Hydrogen Bonding versus π‑Stacking

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-03, Vol.120 (9), p.1536-1544

2016

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Control of a photoswitching chelator by metal ions: DFT, NBO, and QTAIM analysis

International journal of quantum chemistry, 2016-01, Vol.116 (1), p.27-34

2016

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Bis(carbodicarbene)phosphenium trication: the case against hypervalency

Chemical communications (Cambridge, England), 2016-01, Vol.52 (63), p.9789-9792

2016

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Proton leap: shuttling of protons onto benzonitrile

Physical chemistry chemical physics : PCCP, 2022-02, Vol.24 (6), p.3958-3969

2022

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The significance of the metal cation in guanine-quartet - metalloporphyrin complexes

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (1), p.574-584

2021

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Story of Hydroboration: Experimentally Generated Mechanistic Insights

Base Stacking and Sugar Orientations Contribute to Chiral Recognition of Single-Walled Carbon Nanotubes by Short ssDNAs

Water-Mediated Interactions Enhance Alkaline Earth Cation Chelation in Neighboring Cavities of a Cytosine Quartet in the DNA Quadruplex

Electron–Vibrational Coupling and Fluorescence Spectra of Tetra‑, Penta‑, and Hexacoordinated Chlorophylls c 1 and c 2

Hydroboration of imines: intermolecular vs. intramolecular hydride transfer

Intriguing Intermolecular Interplay in Guanine Quartet Complexes with Alkali and Alkaline Earth Cations

O–H Stretch in Phenol and Its Hydrogen-Bonded Complexes: Band Position and Relaxation Pathways

Carbodiphosphorane-Stabilized Parent Dioxophosphorane: A Valuable Synthetic HO2P Source

Alkaline earth cations binding mode tailors excited-state charge transfer properties of guanine quadruplex: A TDDFT study

Advances in verification of ReLU neural networks

Mechanistic insights on how hydroquinone disarms OH and OOH radicals

Density functional theory study of crown ether-magnesium complexes: from a solvated ion to an ion trap

Modulating Excited Charge-Transfer States of G‑Quartet Self-Assemblies by Earth Alkaline Cations and Hydration

New Insight into Uracil Stacking in Water from ab Initio Molecular Dynamics

E–H (E = B, Si, C) Bond Activation by Tuning Structural and Electronic Properties of Phosphenium Cations

When hydroquinone meets methoxy radical: Hydrogen abstraction reaction from the viewpoint of interacting quantum atoms

A new insight into the photochemistry of avobenzone in gas phase and acetonitrile from ab initio calculations

Decorated crown ethers as selective ion traps: Solvent’s role in crown’s preference towards a specific ion

Synthesis, characterization, photophysical and electrochemical properties of new thiadiazole-based olefins for OLED applications

Using Density Functional Theory To Study Neutral and Ionized Stacked Thymine Dimers

Stability and Anharmonic N–H Stretching Frequencies of 1‑Methylthymine Dimers: Hydrogen Bonding versus π‑Stacking

Control of a photoswitching chelator by metal ions: DFT, NBO, and QTAIM analysis

Bis(carbodicarbene)phosphenium trication: the case against hypervalency

Proton leap: shuttling of protons onto benzonitrile

The significance of the metal cation in guanine-quartet - metalloporphyrin complexes

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