Molecular conformational evolution mechanism during nucleation of crystals in solution

New Horizons of Nonclassical Crystallization

(2019) Marie Jehannin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Multistep nucleation and growth mechanisms of organic crystals from amorphous solid states

(2019) Hongliang Chen et al.   Nature Communications

Crystal Nucleation of Tolbutamide in Solution: Relationship to Solvent, Solute Conformation, and Solution Structure

(2018) Jacek Zeglinski et al.   CHEMISTRY-A EUROPEAN JOURNAL

How many Ritonavir cases are there still out there?

(2018) Marcus Neumann et al.   FARADAY DISCUSSIONS

How many Ritonavir cases are there still out there?

(2018) Marcus Neumann et al.   FARADAY DISCUSSIONS

Molecular nucleation mechanisms and control strategies for crystal polymorph selection

(2018) Alexander E. S. Van Driessche et al.   NATURE

Solubility and thermodynamic properties of 5-nitrofurazone form γ in mono-solvents and binary solvent mixtures

(2018) Xin Li et al.   JOURNAL OF MOLECULAR LIQUIDS

Persistent Self-Association of Solute Molecules in Solution

(2017) Weiwei Tang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Additive Mediated Syn-Anti Conformational Tuning at Nucleation to Capture Elusive Polymorphs: Remarkable Role of Extended π-Stacking Interactions in Driving the Self-Assembly

(2016) Rupesh L. Gawade et al.   CRYSTAL GROWTH & DESIGN

COMPASS II: extended coverage for polymer and drug-like molecule databases

(2016) Huai Sun et al.   JOURNAL OF MOLECULAR MODELING

New polymorphs of an old drug: conformational and synthon polymorphism of 5-nitrofurazone

(2016) Dorota Pogoda et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

Facts and fictions about polymorphism

(2015) Aurora J. Cruz-Cabeza et al.   CHEMICAL SOCIETY REVIEWS

A link between the ATR-UV/Vis and Raman spectra of zwitterionic solutions and the polymorphic outcome in cooling crystallization

(2015) E. Simone et al.   CRYSTENGCOMM

Crystal nucleation from solutions – transition states, rate determining steps and complexity

(2015) Roger J. Davey et al.   FARADAY DISCUSSIONS

Can the study of self-assembly in solution lead to a good model for the nucleation pathway? The case of tolfenamic acid.

(2015) W. Du et al.   Chemical Science

Crystal nucleation from solutions – transition states, rate determining steps and complexity

(2015) Roger J. Davey et al.   FARADAY DISCUSSIONS

Pre-nucleation clusters as solute precursors in crystallisation

(2014) Denis Gebauer et al.   CHEMICAL SOCIETY REVIEWS

Nucleation of Conformational Polymorphs: A Computational Study of Tolfenamic Acid by Explicit Solvation

(2014) Alessandra Mattei et al.   CRYSTAL GROWTH & DESIGN

Nucleation of Organic Crystals-A Molecular Perspective

(2013) Roger J. Davey et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A review of the effect of multiple conformers on crystallization from solution and strategies for crystallizing slow inter-converting conformers

(2013) L. Derdour et al.   CHEMICAL ENGINEERING SCIENCE

Conformational Polymorphism

(2013) Aurora J. Cruz-Cabeza et al.   CHEMICAL REVIEWS

Nucleation from Solution

(2013) A. S. Myerson et al.   SCIENCE

Crystallization from Solutions Containing Multiple Conformers. 1. Modeling of Crystal Growth and Supersaturation

(2012) L. Derdour et al.   CRYSTAL GROWTH & DESIGN

Crystallization from Solutions Containing Multiple Conformers. 2. Experimental Study and Model Validation

(2012) L. Derdour et al.   CRYSTAL GROWTH & DESIGN

Molecular Conformation and Crystallization: The Case of Ethenzamide

(2012) Kevin R. Back et al.   CRYSTAL GROWTH & DESIGN

Structural, electronic, thermodynamical and charge transfer properties of Chloramphenicol Palmitate using vibrational spectroscopy and DFT calculations

(2012) Rashmi Mishra et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Interplay between molecular conformation and intermolecular interactions in conformational polymorphism: A molecular perspective from electronic calculations of tolfenamic acid

(2011) Alessandra Mattei et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS

Polymorph Formation and Nucleation Mechanism of Tolfenamic Acid in Solution: An Investigation of Pre-nucleation Solute Association

(2011) Alessandra Mattei et al.   PHARMACEUTICAL RESEARCH

Crystallization from solutions containing multiple conformers: A new modeling approach for solubility and supersaturation

(2010) L. Derdour et al.   CHEMICAL ENGINEERING SCIENCE

The Relationship between Solution Structure and Crystal Nucleation: A Neutron Scattering Study of Supersaturated Methanolic Solutions of Benzoic Acid

(2010) R. C. Burton et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Nucleation of Crystals from Solution: Classical and Two-Step Models

(2009) Deniz Erdemir et al.   ACCOUNTS OF CHEMICAL RESEARCH

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Conformational Polymorphism in Organic Crystals

(2008) Ashwini Nangia   ACCOUNTS OF CHEMICAL RESEARCH