Role of Dispersion Interactions in the Polymorphism and Entropic Stabilization of the Aspirin Crystal

Long-range correlation energy calculated from coupled atomic response functions

(2014) Alberto Ambrosetti et al.   JOURNAL OF CHEMICAL PHYSICS

Many-Body Dispersion Interactions in Molecular Crystal Polymorphism

(2013) Noa Marom et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Metal–organic frameworks with wine-rack motif: What determines their flexibility and elastic properties?

(2013) Aurélie U. Ortiz et al.   JOURNAL OF CHEMICAL PHYSICS

Understanding the role of vibrations, exact exchange, and many-body van der Waals interactions in the cohesive properties of molecular crystals

(2013) Anthony M. Reilly et al.   JOURNAL OF CHEMICAL PHYSICS

Accelerating MP2C dispersion corrections for dimers and molecular crystals

(2013) Yuanhang Huang et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes

(2013) Tobias Risthaus et al.   Journal of Chemical Theory and Computation

Seamless and Accurate Modeling of Organic Molecular Materials

(2013) Anthony M. Reilly et al.   Journal of Physical Chemistry Letters

Electrodynamic response and stability of molecular crystals

(2013) Bohdan Schatschneider et al.   PHYSICAL REVIEW B

Accidental Degeneracy in Crystalline Aspirin: New Insights from High-Level ab Initio Calculations

(2012) Shuhao Wen et al.   CRYSTAL GROWTH & DESIGN

Accurate and Efficient Method for Many-Body van der Waals Interactions

(2012) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

Collective many-body van der Waals interactions in molecular systems

(2012) R. A. DiStasio et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test

(2011) David A. Bardwell et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

The effect of pressure on the elastic properties and seismic anisotropy of diopside and jadeite from atomic scale simulation

(2011) Andrew M. Walker   PHYSICS OF THE EARTH AND PLANETARY INTERIORS

Interaction anisotropy and shear instability of aspirin polymorphs established by nanoindentation

(2011) Sunil Varughese et al.   Chemical Science

Elastic Properties, Thermal Expansion, and Polymorphism of Acetylsalicylic Acid

(2010) Johannes D. Bauer et al.   CRYSTAL GROWTH & DESIGN

Single crystals of aspirin form II: crystallisation and stability

(2010) Andrew D. Bond et al.   CRYSTENGCOMM

Improving Mechanical Properties of Crystalline Solids by Cocrystal Formation: New Compressible Forms of Paracetamol

(2009) Shyam Karki et al.   ADVANCED MATERIALS

Azobenzene at coinage metal surfaces: Role of dispersive van der Waals interactions

(2009) Erik R. McNellis et al.   PHYSICAL REVIEW B

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

A Major Advance in Crystal Structure Prediction

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

Narrow-Line Waveguide Terahertz Time-Domain Spectroscopy of Aspirin and Aspirin Precursors

(2008) N. Laman et al.   APPLIED SPECTROSCOPY