Equilibrium structure and dynamics of organic crystals by Monte Carlo simulation: critical assessment of force fields and comparison with static packing analysis

Uncovering Molecular Details of Urea Crystal Growth in the Presence of Additives

(2012) Matteo Salvalaglio et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Can a computer crystallize a liquid? Molecular simulation of continuous trajectories from liquid to crystalline n-hexane

(2011) Angelo Gavezzotti   CRYSTENGCOMM

Efficient computer modeling of organic materials. The atom–atom, Coulomb–London–Pauli (AA-CLP) model for intermolecular electrostatic-polarization, dispersion and repulsion energies

(2011) Angelo Gavezzotti   NEW JOURNAL OF CHEMISTRY

Computer simulations of the ordering in a hybrid cylindrical film of nematic liquid crystals

(2011) C. Chiccoli et al.   PHYSICAL REVIEW E

Current approaches to predicting molecular organic crystal structures

(2011) Graeme M. Day   Crystallography Reviews

Molecular dynamics simulations of structure and dynamics of organic molecular crystals

(2010) Alexandra Nemkevich et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A phase-field/Monte-Carlo model describing organic crystal growth from solution

(2009) J. Kundin et al.   EUROPEAN PHYSICAL JOURNAL B

Crystal structure prediction for cyclotrimethylene trinitramine (RDX) from first principles

(2009) Rafal Podeszwa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Computed Crystal Energy Landscapes for Understanding and Predicting Organic Crystal Structures and Polymorphism

(2008) Sarah (Sally) L. Price   ACCOUNTS OF CHEMICAL RESEARCH

A Major Advance in Crystal Structure Prediction

(2008) Marcus A. Neumann et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Non-conventional bonding between organic molecules. The 'halogen bond' in crystalline systems

(2008) A. Gavezzotti   MOLECULAR PHYSICS