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(Ro)vibrational Spectroscopic Constants, Lifetime and QTAIM Evaluation of Fullerene Dimers Stability

Molecules (Basel, Switzerland), 2023-06, Vol.28 (13), p.5023

2023

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Facts, Presumptions, and Myths on the Solvent-Free and Catalyst-Free Biginelli Reaction. What is Catalysis for?

Journal of organic chemistry, 2014-04, Vol.79 (8), p.3383-3397

2014

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Stereodynamical Origin of Anti-Arrhenius Kinetics: Negative Activation Energy and Roaming for a Four-Atom Reaction

The journal of physical chemistry letters, 2015-05, Vol.6 (9), p.1553-1558

2015

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Mechanistic Studies on Lewis Acid Catalyzed Biginelli Reactions in Ionic Liquids: Evidence for the Reactive Intermediates and the Role of the Reagents

Journal of organic chemistry, 2012-11, Vol.77 (22), p.10184-10193

2012

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Charge-tagged N-heterocyclic carbenes (NHC): Direct transfer from ionic liquid solutions and long-lived nature in the gas phase

Journal of the American Society for Mass Spectrometry, 2017-06, Vol.28 (6), p.1021-1029

2017

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Theoretical study of the interaction of fullerenes with the emerging contaminant carbamazepine for detection in aqueous environments

Scientific reports, 2022-09, Vol.12 (1), p.15848-11, Article 15848

2022

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Stereodirectional Origin of anti-Arrhenius Kinetics for a Tetraatomic Hydrogen Exchange Reaction: Born–Oppenheimer Molecular Dynamics for OH + HBr

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-07, Vol.120 (27), p.5408-5417

2016

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Harnessing Greenhouse Gases Absorption by Doped Fullerenes with Externally Oriented Electric Field

Molecules (Basel, Switzerland), 2022-05, Vol.27 (9), p.2968

2022

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The Biginelli Reaction with an Imidazolium-Tagged Recyclable Iron Catalyst: Kinetics, Mechanism, and Antitumoral Activity

Chemistry : a European journal, 2013-03, Vol.19 (13), p.4156-4168

2013

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Deformed transition‐state theory: Deviation from Arrhenius behavior and application to bimolecular hydrogen transfer reaction rates in the tunneling regime

Journal of computational chemistry, 2017-01, Vol.38 (3), p.178-188

2017

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Designed Benzothiadiazole Fluorophores for Selective Mitochondrial Imaging and Dynamics

Chemistry : a European journal, 2014-11, Vol.20 (47), p.15360-15374

2014

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From Live Cells to Caenorhabditis elegans: Selective Staining and Quantification of Lipid Structures Using a Fluorescent Hybrid Benzothiadiazole Derivative

ACS omega, 2018-04, Vol.3 (4), p.3874-3881

2018

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Bond Ellipticity Alternation: An Accurate Descriptor of the Nonlinear Optical Properties of π‑Conjugated Chromophores

The journal of physical chemistry letters, 2018-03, Vol.9 (6), p.1377-1383

2018

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Ionic Liquid Effect over the Biginelli Reaction under Homogeneous and Heterogeneous Catalysis

ACS catalysis, 2013-07, Vol.3 (7), p.1420-1430

2013

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Fluorescent Benzoselenadiazoles: Synthesis, Characterization, and Quantification of Intracellular Lipid Droplets and Multicellular Model Staining

Journal of organic chemistry, 2020-08, Vol.85 (16), p.10561-10573

2020

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Explicit Aqueous Solvation Treatment of Epinephrine from Car–Parrinello Molecular Dynamics: Effect of Hydrogen Bonding on the Electronic Absorption Spectrum

The journal of physical chemistry. B, 2018-09, Vol.122 (35), p.8439-8450

2018

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Alternative Approach to Calculate Two-Center Overlap Matrix through Deformed Exponential Function

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-08, Vol.117 (30), p.6622-6628

2013

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Probing the mechanism of the Ugi four-component reaction with charge-tagged reagents by ESI-MS(/MS)

Chemical communications (Cambridge, England), 2014-01, Vol.50 (3), p.338-340

2014

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Morita–Baylis–Hillman Reaction: ESI-MS(/MS) Investigation with Charge Tags and Ionic Liquid Effect Origin Revealed by DFT Calculations

Journal of organic chemistry, 2014-06, Vol.79 (11), p.5239-5248

2014

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Effect of the crystalline environment on the third-order nonlinear optical properties of L-arginine phosphate monohydrate: a theoretical study

Journal of molecular modeling, 2017-04, Vol.23 (4), p.122-9, Article 122

2017

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Synthesis, Structure, Properties, and Bioimaging of a Fluorescent Nitrogen-Linked Bisbenzothiadiazole

Journal of organic chemistry, 2016-04, Vol.81 (7), p.2958-2965

2016

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The influence of the configuration of the (C70)2 dimer on its rovibrational spectroscopic properties: a theoretical survey

Journal of molecular modeling, 2018-09, Vol.24 (9), p.235-8, Article 235

2018

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Synthesis of 2-arylbenzimidazoles under mild conditions catalyzed by a heteropolyacid-containing task-specific ionic liquid and catalyst investigation by electrospray (tandem) mass spectrometry

RSC advances, 2015-01, Vol.5 (85), p.69418-69422

2015

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A novel analytical potential function for dicationic diatomic molecular systems based on deformed exponential function

Journal of molecular modeling, 2017-06, Vol.23 (6), p.182-10, Article 182

2017

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Kinetics of the OH+HCl→H2O+Cl reaction: Rate determining roles of stereodynamics and roaming and of quantum tunneling

Journal of computational chemistry, 2018-11, Vol.39 (30), p.2508-2516

2018

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(Ro)vibrational Spectroscopic Constants, Lifetime and QTAIM Evaluation of Fullerene Dimers Stability

Facts, Presumptions, and Myths on the Solvent-Free and Catalyst-Free Biginelli Reaction. What is Catalysis for?

Stereodynamical Origin of Anti-Arrhenius Kinetics: Negative Activation Energy and Roaming for a Four-Atom Reaction

Mechanistic Studies on Lewis Acid Catalyzed Biginelli Reactions in Ionic Liquids: Evidence for the Reactive Intermediates and the Role of the Reagents

Charge-tagged N-heterocyclic carbenes (NHC): Direct transfer from ionic liquid solutions and long-lived nature in the gas phase

Theoretical study of the interaction of fullerenes with the emerging contaminant carbamazepine for detection in aqueous environments

Stereodirectional Origin of anti-Arrhenius Kinetics for a Tetraatomic Hydrogen Exchange Reaction: Born–Oppenheimer Molecular Dynamics for OH + HBr

Harnessing Greenhouse Gases Absorption by Doped Fullerenes with Externally Oriented Electric Field

The Biginelli Reaction with an Imidazolium-Tagged Recyclable Iron Catalyst: Kinetics, Mechanism, and Antitumoral Activity

Deformed transition‐state theory: Deviation from Arrhenius behavior and application to bimolecular hydrogen transfer reaction rates in the tunneling regime

Designed Benzothiadiazole Fluorophores for Selective Mitochondrial Imaging and Dynamics

From Live Cells to Caenorhabditis elegans: Selective Staining and Quantification of Lipid Structures Using a Fluorescent Hybrid Benzothiadiazole Derivative

Bond Ellipticity Alternation: An Accurate Descriptor of the Nonlinear Optical Properties of π‑Conjugated Chromophores

Ionic Liquid Effect over the Biginelli Reaction under Homogeneous and Heterogeneous Catalysis

Fluorescent Benzoselenadiazoles: Synthesis, Characterization, and Quantification of Intracellular Lipid Droplets and Multicellular Model Staining

Explicit Aqueous Solvation Treatment of Epinephrine from Car–Parrinello Molecular Dynamics: Effect of Hydrogen Bonding on the Electronic Absorption Spectrum

Alternative Approach to Calculate Two-Center Overlap Matrix through Deformed Exponential Function

Probing the mechanism of the Ugi four-component reaction with charge-tagged reagents by ESI-MS(/MS)

Morita–Baylis–Hillman Reaction: ESI-MS(/MS) Investigation with Charge Tags and Ionic Liquid Effect Origin Revealed by DFT Calculations

Effect of the crystalline environment on the third-order nonlinear optical properties of L-arginine phosphate monohydrate: a theoretical study

Synthesis, Structure, Properties, and Bioimaging of a Fluorescent Nitrogen-Linked Bisbenzothiadiazole

The influence of the configuration of the (C70)2 dimer on its rovibrational spectroscopic properties: a theoretical survey

Synthesis of 2-arylbenzimidazoles under mild conditions catalyzed by a heteropolyacid-containing task-specific ionic liquid and catalyst investigation by electrospray (tandem) mass spectrometry

A novel analytical potential function for dicationic diatomic molecular systems based on deformed exponential function

Kinetics of the OH+HCl→H2O+Cl reaction: Rate determining roles of stereodynamics and roaming and of quantum tunneling

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