Inter- vs. Intramolecular Hydrogen Bond Patterns and Proton Dynamics in Nitrophthalic Acid Associates

Adduct under Field—A Qualitative Approach to Account for Solvent Effect on Hydrogen Bonding

(2020) Ilya G. Shenderovich et al.   MOLECULES

H/D Isotope Effects on 1H-NMR Chemical Shifts in Cyclic Heterodimers and Heterotrimers of Phosphinic and Phosphoric Acids

(2020) Valeriia V. Mulloyarova et al.   MOLECULES

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

(2020) Alexander P. Voronin et al.   MOLECULES

The role of pH and dose/solubility ratio on cocrystal dissolution, drug supersaturation and precipitation

(2020) Tatiane Cogo Machado et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Di(hydroperoxy)cycloalkane Adducts of Triarylphosphine Oxides: A Comprehensive Study Including Solid-State Structures and Association in Solution

(2020) Fabian F. Arp et al.   INORGANIC CHEMISTRY

For Whom a Puddle Is the Sea? Adsorption of Organic Guests on Hydrated MCM-41 Silica

(2020) Ilya G. Shenderovich   LANGMUIR

Solvent effects on acid-base complexes. What is more important: A macroscopic reaction field or solute-solvent interactions?

(2019) Ilya G. Shenderovich et al.   JOURNAL OF CHEMICAL PHYSICS

The Partner Does Matter: The Structure of Heteroaggregates of Acridine Orange in Water

(2019) Ilya G. Shenderovich   MOLECULES

Simplified calculation approaches designed to reproduce the geometry of hydrogen bonds in molecular complexes in aprotic solvents

(2018) Ilya G. Shenderovich   JOURNAL OF CHEMICAL PHYSICS

P═O Moiety as an Ambidextrous Hydrogen Bond Acceptor

(2018) Elena Yu. Tupikina et al.   Journal of Physical Chemistry C

Tetrel Bonds with π-Electrons Acting as Lewis Bases—Theoretical Results and Experimental Evidences

(2018) Sławomir Grabowski   MOLECULES

Cyclic trimers of phosphinic acids in polar aprotic solvent: symmetry, chirality and H/D isotope effects on NMR chemical shifts

(2018) V. V. Mulloyarova et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

“Long-distance” H/D isotopic self-organization phenomena in scope of the infrared spectra of hydrogen-bonded terephthalic and phthalic acid crystals

(2017) Henryk T. Flakus et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Z-effect reversal in carboxylic acid associates

(2016) Michael G. Medvedev et al.   CHEMICAL COMMUNICATIONS

Covalent organic frameworks based on Schiff-base chemistry: synthesis, properties and potential applications

(2016) José L. Segura et al.   CHEMICAL SOCIETY REVIEWS

Proton Transfer Influence on Geometry and Electron Density in Benzoic Acid-Pyridine Complexes

(2016) Irena Majerz   HELVETICA CHIMICA ACTA

Some Brief Notes on Theoretical and Experimental Investigations of Intramolecular Hydrogen Bonding

(2016) Lucjan Sobczyk et al.   MOLECULES

Self-assembly of organic dyes in supramolecular aggregates

(2016) Belinda Heyne   PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES

Unusual Hydrogen Bonding Patterns and the Role of the Backbone in Nucleic Acid Information Transfer

(2016) Steven A. Benner   ACS Central Science

Hydrogen atoms can be located accurately and precisely by x-ray crystallography

(2016) M. Woinska et al.   Science Advances

DYNAMERS: dynamic polymers as self-healing materials

(2015) Nabarun Roy et al.   CHEMICAL SOCIETY REVIEWS

Triel Bonds, π-Hole-π-Electrons Interactions in Complexes of Boron and Aluminium Trihalides and Trihydrides with Acetylene and Ethylene

(2015) Sławomir Grabowski   MOLECULES

Long-distance inter-hydrogen bond coupling effects in the polarized IR spectra of succinic acid crystals

(2015) Henryk T. Flakus et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Anti-Electrostatic Hydrogen Bonds

(2014) Frank Weinhold et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Competing Intramolecular vs. Intermolecular Hydrogen Bonds in Solution

(2014) Peter Nagy   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Crystal and Molecular Structure of Two Proton Transfer Compounds from Quinolin-8-ol, 4-nitro-phthalic Acid, and 1,5-Naphthalenedisulfonic Acid

(2014) Shouwen Jin et al.   JOURNAL OF CHEMICAL CRYSTALLOGRAPHY

Comparison of Resonance Assisted and Charge Assisted Effects in Strengthening of Hydrogen Bonds in Dipyrrins

(2014) Jarosław J. Panek et al.   Journal of Chemical Information and Modeling

How Short is the Strongest Hydrogen Bond in the Proton-Bound Homodimers of Pyridine Derivatives?

(2014) Andrey A. Gurinov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

An inelastic neutron scattering study of dietary phenolic acids

(2014) M. Paula M. Marques et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2013) Anastasia V. Shishkina et al.   CRYSTAL GROWTH & DESIGN

Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts

(2013) Geetha Bolla et al.   CRYSTAL GROWTH & DESIGN

Two polymorphs and one hydrate of a molecular salt involving phenazopyridine and salicylic acid

(2013) Qian Tao et al.   CRYSTENGCOMM

Effect of Noncovalent Interactions on the 31P Chemical Shift Tensor of Phosphine Oxides, Phosphinic, Phosphonic, and Phosphoric Acids, and Their Complexes with Lead(II)

(2013) Ilya G. Shenderovich   Journal of Physical Chemistry C

NMR Studies of Protonation and Hydrogen Bond States of Internal Aldimines of Pyridoxal 5′-Phosphate Acid–Base in Alanine Racemase, Aspartate Aminotransferase, and Poly-l-lysine

(2013) Monique Chan-Huot et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Energy Analysis of Competing Non-Covalent Interaction in 1:1 and 1:2 Adducts of Collidine with Benzoic Acids by Means of X-Ray Diffraction

(2013) Alexandra O. Borissova et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids

(2012) Riccardo Montis et al.   CRYSTENGCOMM

Polarized IR Spectra of the Hydrogen Bond in 2-Thiopheneacetic Acid and 2-Thiopheneacrylic Acid Crystals: H/D Isotopic and Temperature Effects

(2012) Henryk T. Flakus et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Dimers of the Higher-Energy Conformer of Formic Acid: Experimental Observation

(2012) Kseniya Marushkevich et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Car–Parrinello Simulation of the Vibrational Spectrum of a Medium Strong Hydrogen Bond by Two-Dimensional Quantization of the Nuclear Motion: Application to 2-Hydroxy-5-nitrobenzamide

(2012) Mateusz Brela et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid

(2011) Graham Smith et al.   ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS

Crystal Structures and Photophysical Properties of 9-Anthracene Carboxylic Acid Derivatives for Photomechanical Applications

(2011) Lingyan Zhu et al.   CRYSTAL GROWTH & DESIGN

Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine

(2011) Lynne H. Thomas et al.   CRYSTENGCOMM

On the Intramolecular Hydrogen Bond in Solution: Car–Parrinello and Path Integral Molecular Dynamics Perspective

(2011) Przemyslaw Dopieralski et al.   Journal of Chemical Theory and Computation

Geometry and Spectral Properties of the Protonated Homodimer of Pyridine in the Liquid and Solid States. A Combined NMR, X-ray Diffraction and Inelastic Neutron Scattering Study

(2011) S. Kong et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Mutable Lewis and Brønsted Acidity of Aluminated SBA-15 as Revealed by NMR of Adsorbed Pyridine-15N

(2011) Andrey A. Gurinov et al.   LANGMUIR

Vibrations of a chelated proton in a protonated tertiary diamine

(2011) Gregory J. O. Beran et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The photoinduced isomerization and its implication in the photo-dynamical processes in two simple Schiff bases isolated in solid argon

(2011) Joanna Grzegorzek et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The source of similarity of the IR spectra of acetic acid in the liquid and solid-state phases

(2011) Henryk T. Flakus et al.   VIBRATIONAL SPECTROSCOPY

Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion, and Comparison to the Hydrated Proton

(2010) Dominik Marx et al.   CHEMICAL REVIEWS

Car–Parrinello simulation of hydrogen bond dynamics in sodium hydrogen bissulfate

(2010) Gordana Pirc et al.   JOURNAL OF CHEMICAL PHYSICS

CNNC conformational isomers of 2′-hydroxyacetophenone azine: FTIR matrix isolation and DFT study

(2010) Joanna Grzegorzek et al.   JOURNAL OF MOLECULAR STRUCTURE

Counteranion-dependent mechanisms of intramolecular proton transfer in aprotic solution

(2010) Stepan B. Lesnichin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Symmetrization of Cationic Hydrogen Bridges of Protonated Sponges Induced by Solvent and Counteranion Interactions as Revealed by NMR Spectroscopy

(2009) Mariusz Pietrzak et al.   CHEMISTRY-A EUROPEAN JOURNAL

Specific ion effects in colloidal and biological systems

(2009) Werner Kunz   CURRENT OPINION IN COLLOID & INTERFACE SCIENCE

Theoretical infrared line shapes of H-bonds within the strong anharmonic coupling theory and Fermi resonances effects

(2009) Noureddine Issaoui et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Formic Acid Dimerization: Evidence for Species Diversity from First Principles Simulations

(2009) Pawel Rodziewicz et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Molecular Property Investigations of anortho-Hydroxy Schiff Base Type Compound with the First-Principle Molecular Dynamics Approach

(2009) Aneta Jezierska-Mazzarello et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Acidity of Sulfonic and Phosphonic Acid-Functionalized SBA-15 under Almost Water-Free Conditions

(2009) D. Mauder et al.   Journal of Physical Chemistry C

Theoretical modeling of infrared spectra of the hydrogen and deuterium bond in aspirin crystal

(2009) Houcine Ghalla et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

The 1:1 proton-transfer compounds of 4-(phenyldiazenyl)aniline (aniline yellow) with 3-nitrophthalic, 4-nitrophthalic and 5-nitroisophthalic acids

(2008) Graham Smith et al.   ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS

Vibrational spectra of crystalline formic and acetic acid isotopologues by inelastic neutron scattering and numerical simulations

(2008) M.R. Johnson et al.   CHEMICAL PHYSICS

Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study

(2008) Ivana Radosavljevic Evans et al.   CRYSTENGCOMM

First-Principle Molecular Dynamics Study of Selected Schiff and Mannich Bases:  Application of Two-Dimensional Potential of Mean Force to Systems with Strong Intramolecular Hydrogen Bonds

(2008) Aneta Jezierska et al.   Journal of Chemical Theory and Computation

Inelastic neutron scattering and vibrational spectra of 2-(N-methyl-α-iminoethyl)-phenol and 2-(N-methyliminoethyl)-phenol: Experimental and theoretical approach

(2008) A. Filarowski et al.   JOURNAL OF MOLECULAR STRUCTURE

Carboxylic Acid-Doped SBA-15 Silica as a Host for Metallo-supramolecular Coordination Polymers†

(2008) D. Akcakayiran et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Matrix-isolation FT-IR and theoretical investigation of the competitive intramolecular hydrogen bonding in 5-methyl-3-nitro-2-hydroxyacetophenone

(2007) J. Pajak et al.   JOURNAL OF MOLECULAR STRUCTURE