Insights into Proton Dynamics in a Photofunctional Salt‐Cocrystal Continuum: Single‐Crystal X‐ray, Neutron Diffraction, and Hirshfeld Atom Refinement

Positive Cooperative Protonation of a Metal–Organic Framework: pH-Responsive Fluorescence and Proton Conduction

(2021) Shuai-Liang Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Can We Identify Salt-cocrystal Continuum State Using XPS? No

(2020) Srinu Tothadi et al.   CRYSTAL GROWTH & DESIGN

Soft Crystals -Flexible Response Systems with High Structural Order

(2019) Masako Kato et al.   CHEMISTRY-A EUROPEAN JOURNAL

Selective Synthesis of a Salt and a Cocrystal of the Ethionamide–Salicylic Acid System

(2019) Davide Bernasconi et al.   CRYSTAL GROWTH & DESIGN

Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2

(2018) Malte Fugel et al.   IUCrJ

Non-aqueous selective synthesis of orthosilicic acid and its oligomers

(2017) Masayasu Igarashi et al.   Nature Communications

Software update: the ORCA program system, version 4.0

(2017) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Water-Soluble Pyrrolo[3,2-b ]pyrroles: Synthesis, Luminescence and Two-Photon Cellular Imaging Properties

(2017) Mithun Santra et al.   Asian Journal of Organic Chemistry

Exploring the salt–cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering

(2017) Lalit Rajput et al.   IUCrJ

Encapsulating Mobile Proton Carriers into Structural Defects in Coordination Polymer Crystals: High Anhydrous Proton Conduction and Fuel Cell Application

(2016) Munehiro Inukai et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Salt or cocrystal of salt? Probing the nature of multicomponent crystal forms with infrared spectroscopy

(2016) Cameron Capeletti da Silva et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

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

(2016) M. Woinska et al.   Science Advances

Acid/Base-Triggered Switching of Circularly Polarized Luminescence and Electronic Circular Dichroism in Organic and Organometallic Helicenes

(2014) Nidal Saleh et al.   CHEMISTRY-A EUROPEAN JOURNAL

Hirshfeld atom refinement

(2014) Silvia C. Capelli et al.   IUCrJ

Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid–base complexes

(2013) Joanna S. Stevens et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Multicolor fluorescence and electroluminescence of an ICT-type organic solid tuned by modulating the accepting nature of the central core

(2013) Kai Wang et al.   Chemical Science

The significance of acid/base properties in drug discovery

(2012) David T. Manallack et al.   CHEMICAL SOCIETY REVIEWS

Acid–base crystalline complexes and the pKa rule

(2012) Aurora J. Cruz-Cabeza   CRYSTENGCOMM

Guest-Responsive Fluorescence of Inclusion Crystals with π-Stacked Supramolecular Beads

(2011) Tomoaki Hinoue et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Crystallography Aided by Atomic Core-Level Binding Energies: Proton Transfer versus Hydrogen Bonding in Organic Crystal Structures

(2011) Joanna S. Stevens et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Catalytic insights into acid/base conjugates: highly selective bifunctional catalysts for the ring-opening polymerization of lactide

(2011) Daniel J. Coady et al.   CHEMICAL COMMUNICATIONS

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Salt or Cocrystal? A New Series of Crystal Structures Formed from Simple Pyridines and Carboxylic Acids

(2009) Sharmarke Mohamed et al.   CRYSTAL GROWTH & DESIGN

Vibrational Spectroscopic Studies of Cocrystals and Salts. 2. The Benzylamine−Benzoic Acid System

(2009) Harry G. Brittain   CRYSTAL GROWTH & DESIGN

X-ray structure refinement using aspherical atomic density functions obtained from quantum-mechanical calculations

(2008) Dylan Jayatilaka et al.   ACTA CRYSTALLOGRAPHICA SECTION A