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Crystalline Peroxosolvates: Nature of the Coformer, Hydrogen-Bonded Networks and Clusters, Intermolecular Interactions

Molecules (Basel, Switzerland), 2020-12, Vol.26 (1), p.26

2020

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Specific Proton-Donor Properties of Glycine Betaine. Metric Parameters and Enthalpy of Noncovalent Interactions in its Dimer, Water Complexes and Crystalline Hydrate

International journal of molecular sciences, 2023-08, Vol.24 (16), p.12971

2023

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High-Mobility Naphthalene Diimide Derivatives Revealed by Raman-Based In Silico Screening

International journal of molecular sciences, 2022-11, Vol.23 (21), p.13305

2022

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How Strong Is Hydrogen Bonding in Ionic Liquids? Combined X‑ray Crystallographic, Infrared/Raman Spectroscopic, and Density Functional Theory Study

The journal of physical chemistry. B, 2013-08, Vol.117 (30), p.9094-9105

2013

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Inhibiting Low-Frequency Vibrations Explains Exceptionally High Electron Mobility in 2,5-Difluoro-7,7,8,8-tetracyanoquinodimethane (F2‑TCNQ) Single Crystals

The journal of physical chemistry letters, 2017-07, Vol.8 (13), p.2875-2880

2017

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Diclofenac Ion Hydration: Experimental and Theoretical Search for Anion Pairs

Molecules (Basel, Switzerland), 2022-05, Vol.27 (10), p.3350

2022

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Cl···Cl Interactions in Molecular Crystals: Insights from the Theoretical Charge Density Analysis

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-09, Vol.117 (35), p.8459-8467

2013

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Fast Quantum Approach for Evaluating the Energy of Non-Covalent Interactions in Molecular Crystals: The Case Study of Intermolecular H-Bonds in Crystalline Peroxosolvates

Molecules (Basel, Switzerland), 2022-06, Vol.27 (13), p.4082

2022

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Molecular Dynamics Simulation of Association Processes in Aqueous Solutions of Maleate Salts of Drug-like Compounds: The Role of Counterion

International journal of molecular sciences, 2022-06, Vol.23 (11), p.6302

2022

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Combined X-ray Crystallographic, IR/Raman Spectroscopic, and Periodic DFT Investigations of New Multicomponent Crystalline Forms of Anthelmintic Drugs: A Case Study of Carbendazim Maleate

Molecules (Basel, Switzerland), 2020-05, Vol.25 (10), p.2386

2020

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Supramolecular Organization in Salts of Riluzole with Dihydroxybenzoic Acids-The Key Role of the Mutual Arrangement of OH Groups

Pharmaceutics, 2023-03, Vol.15 (3), p.878

2023

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Comparison of Proton Acceptor and Proton Donor Properties of H2O and H2O2 in Organic Crystals of Drug-like Compounds: Peroxosolvates vs. Crystallohydrates

Molecules (Basel, Switzerland), 2022-01, Vol.27 (3), p.717

2022

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Azasydnone – novel “green” building block for designing high energetic compounds

Journal of materials chemistry. A, Materials for energy and sustainability, 2018, Vol.6 (38), p.18669-18676

2018

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Salicylamide Cocrystals: Screening, Crystal Structure, Sublimation Thermodynamics, Dissolution, and Solid-State DFT Calculations

The journal of physical chemistry. B, 2014-06, Vol.118 (24), p.6803-6814

2014

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Noncovalent Interactions in Crystalline Picolinic Acid N‑Oxide: Insights from Experimental and Theoretical Charge Density Analysis

Crystal growth & design, 2013-02, Vol.13 (2), p.816-828

2013

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Spectroscopic Identification of Hydrogen Bond Vibrations and Quasi-Isostructural Polymorphism in N-Salicylideneaniline

Molecules (Basel, Switzerland), 2021-08, Vol.26 (16), p.5043

2021

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Stabilization of hydrogen peroxide by hydrogen bonding in the crystal structure of 2-aminobenzimidazole perhydrate

CrystEngComm, 2020-01, Vol.22 (16), p.2866-2872

2020

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Local-structure effects on 31P NMR chemical shift tensors in solid state

The Journal of chemical physics, 2019-04, Vol.150 (14), p.144706-144706

2019

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Hypercoordinated Oligosilanes Based on Aminotrisphenols

ACS omega, 2018-08, Vol.3 (8), p.10317-10330

2018

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Pharmaceutical Salts of Fenbendazole with Organic Counterions: Structural Analysis and Solubility Performance

Crystal growth & design, 2021-08, Vol.21 (8), p.4516-4530

2021

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Proton Dynamics in Strong (Short) Intramolecular H-Bond. DFT Study of the KH Maleate Crystal

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-12, Vol.112 (51), p.13628-13632

2008

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Peroxosolvates: Formation Criteria, H2O2 Hydrogen Bonding, and Isomorphism with the Corresponding Hydrates

Crystal growth & design, 2017-01, Vol.17 (1), p.214-220

2017

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Hydration of the Carboxylate Group in Anti-Inflammatory Drugs: ATR-IR and Computational Studies of Aqueous Solution of Sodium Diclofenac

ACS omega, 2018-01, Vol.3 (1), p.302-313

2018

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Dioxygen-halogen bonding exemplified by crystalline peroxosolvates of N , N '-bis(haloacetyl) bispidines

Physical chemistry chemical physics : PCCP, 2024-02, Vol.26 (6), p.5195-5206

2024

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Solving the enigma of weak fluorine contacts in the solid state: a periodic DFT study of fluorinated organic crystals

RSC advances, 2019-04, Vol.9 (22), p.1252-12537

2019

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Crystalline Peroxosolvates: Nature of the Coformer, Hydrogen-Bonded Networks and Clusters, Intermolecular Interactions

Specific Proton-Donor Properties of Glycine Betaine. Metric Parameters and Enthalpy of Noncovalent Interactions in its Dimer, Water Complexes and Crystalline Hydrate

High-Mobility Naphthalene Diimide Derivatives Revealed by Raman-Based In Silico Screening

How Strong Is Hydrogen Bonding in Ionic Liquids? Combined X‑ray Crystallographic, Infrared/Raman Spectroscopic, and Density Functional Theory Study

Inhibiting Low-Frequency Vibrations Explains Exceptionally High Electron Mobility in 2,5-Difluoro-7,7,8,8-tetracyanoquinodimethane (F2‑TCNQ) Single Crystals

Diclofenac Ion Hydration: Experimental and Theoretical Search for Anion Pairs

Cl···Cl Interactions in Molecular Crystals: Insights from the Theoretical Charge Density Analysis

Fast Quantum Approach for Evaluating the Energy of Non-Covalent Interactions in Molecular Crystals: The Case Study of Intermolecular H-Bonds in Crystalline Peroxosolvates

Molecular Dynamics Simulation of Association Processes in Aqueous Solutions of Maleate Salts of Drug-like Compounds: The Role of Counterion

Combined X-ray Crystallographic, IR/Raman Spectroscopic, and Periodic DFT Investigations of New Multicomponent Crystalline Forms of Anthelmintic Drugs: A Case Study of Carbendazim Maleate

Supramolecular Organization in Salts of Riluzole with Dihydroxybenzoic Acids-The Key Role of the Mutual Arrangement of OH Groups

Comparison of Proton Acceptor and Proton Donor Properties of H2O and H2O2 in Organic Crystals of Drug-like Compounds: Peroxosolvates vs. Crystallohydrates

Azasydnone – novel “green” building block for designing high energetic compounds

Salicylamide Cocrystals: Screening, Crystal Structure, Sublimation Thermodynamics, Dissolution, and Solid-State DFT Calculations

Noncovalent Interactions in Crystalline Picolinic Acid N‑Oxide: Insights from Experimental and Theoretical Charge Density Analysis

Spectroscopic Identification of Hydrogen Bond Vibrations and Quasi-Isostructural Polymorphism in N-Salicylideneaniline

Stabilization of hydrogen peroxide by hydrogen bonding in the crystal structure of 2-aminobenzimidazole perhydrate

Local-structure effects on 31P NMR chemical shift tensors in solid state

Hypercoordinated Oligosilanes Based on Aminotrisphenols

Pharmaceutical Salts of Fenbendazole with Organic Counterions: Structural Analysis and Solubility Performance

Proton Dynamics in Strong (Short) Intramolecular H-Bond. DFT Study of the KH Maleate Crystal

Peroxosolvates: Formation Criteria, H2O2 Hydrogen Bonding, and Isomorphism with the Corresponding Hydrates

Hydration of the Carboxylate Group in Anti-Inflammatory Drugs: ATR-IR and Computational Studies of Aqueous Solution of Sodium Diclofenac

Dioxygen-halogen bonding exemplified by crystalline peroxosolvates of N , N '-bis(haloacetyl) bispidines

Solving the enigma of weak fluorine contacts in the solid state: a periodic DFT study of fluorinated organic crystals

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