Uncovering the Connection Between Low-Frequency Dynamics and Phase Transformation Phenomena in Molecular Solids

In Situ Observation of Gas Adsorption onto ZIF-8 Using Terahertz Waves

(2017) Takenori Tanno et al.   Journal of Physical Chemistry C

High-pressure cell for terahertz time-domain spectroscopy

(2017) Wei Zhang et al.   OPTICS EXPRESS

The significance of the amorphous potential energy landscape for dictating glassy dynamics and driving solid-state crystallisation

(2017) Michael T. Ruggiero et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Measuring the Elasticity of Poly-l-Proline Helices with Terahertz Spectroscopy

(2016) Michael T. Ruggiero et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Thermal properties of molecular crystals through dispersion-corrected quasi-harmonic ab initio calculations: the case of urea

(2016) Alessandro Erba et al.   CHEMICAL COMMUNICATIONS

Modeling Polymorphic Molecular Crystals with Electronic Structure Theory

(2016) Gregory J. O. Beran   CHEMICAL REVIEWS

Resolving the Origins of Crystalline Anharmonicity Using Terahertz Time-Domain Spectroscopy and ab Initio Simulations

(2016) Michael T. Ruggiero et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Observation of coherent delocalized phonon-like modes in DNA under physiological conditions

(2016) Mario González-Jiménez et al.   Nature Communications

Reducing dynamic disorder in small-molecule organic semiconductors by suppressing large-amplitude thermal motions

(2016) Steffen Illig et al.   Nature Communications

Polymer Morphological Change Induced by Terahertz Irradiation

(2016) Hiromichi Hoshina et al.   Scientific Reports

Terahertz Time-Domain and Low-Frequency Raman Spectroscopy of Organic Materials

(2015) Edward P.J. Parrott et al.   APPLIED SPECTROSCOPY

Investigation of the terahertz vibrational modes of ZIF-8 and ZIF-90 with terahertz time-domain spectroscopy

(2015) Nicholas Y. Tan et al.   CHEMICAL COMMUNICATIONS

Predicting Crystallization of Amorphous Drugs with Terahertz Spectroscopy

(2015) Juraj Sibik et al.   MOLECULAR PHARMACEUTICS

Terahertz response of organic amorphous systems: experimental concerns and perspectives

(2015) J. Sibik et al.   PHILOSOPHICAL MAGAZINE

Terahertz disorder-localized rotational modes and lattice vibrational modes in the orientationally-disordered and ordered phases of camphor

(2015) Daniel V. Nickel et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

CRYSTAL14: A program for theab initioinvestigation of crystalline solids

(2014) Roberto Dovesi et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Terahertz underdamped vibrational motion governs protein-ligand binding in solution

(2014) David A. Turton et al.   Nature Communications

cp2k: atomistic simulations of condensed matter systems

(2013) Jürg Hutter et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories

(2011) Martin Brehm et al.   Journal of Chemical Information and Modeling

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS