Crystal phase transition of urea: what governs the reaction kinetics in molecular crystal phase transitions

Nucleation of urea from aqueous solution: Structure, critical size, and rate

(2017) Taraknath Mandal et al.   JOURNAL OF CHEMICAL PHYSICS

Graphite to Diamond: Origin for Kinetics Selectivity

(2017) Yao-Ping Xie et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Pressure-induced silica quartz amorphization studied by iterative stochastic surface walking reaction sampling

(2017) Xiao-Jie Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Can computed crystal energy landscapes help understand pharmaceutical solids?

(2016) Sarah L. Price et al.   CHEMICAL COMMUNICATIONS

Insight into the nucleation of urea crystals from the melt

(2015) Federico Giberti et al.   CHEMICAL ENGINEERING SCIENCE

Mechanically Responsive Molecular Crystals

(2015) Panče Naumov et al.   CHEMICAL REVIEWS

Reaction sampling and reactivity prediction using the stochastic surface walking method

(2015) Xiao-Jie Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Spatially resolved analysis of short-range structure perturbations in a plastically bent molecular crystal

(2014) Manas K. Panda et al.   Nature Chemistry

Stochastic surface walking method for crystal structure and phase transition pathway prediction

(2014) Cheng Shang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Controlling and Predicting Crystal Shapes: The Case of Urea

(2013) Matteo Salvalaglio et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Stochastic Surface Walking Method for Structure Prediction and Pathway Searching

(2013) Cheng Shang et al.   Journal of Chemical Theory and Computation

Crystal Engineering: From Molecule to Crystal

(2013) Gautam R. Desiraju   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

(2012) Jess Wellendorff et al.   PHYSICAL REVIEW B

Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

(2011) Carl Caleman et al.   Journal of Chemical Theory and Computation

Polymorphism in Molecular Solids: An Extraordinary System of Red, Orange, and Yellow Crystals

(2010) Lian Yu   ACCOUNTS OF CHEMICAL RESEARCH

H-Bond Breaking in High-Pressure Urea

(2009) Anna Olejniczak et al.   Journal of Physical Chemistry C