Related references
Note: Only part of the references are listed.PSI4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
Robert M. Parrish et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Structural aspects of displacive transformations: what can optical microscopy contribute? Dehydration of Sm2(C2O4)3•10H2O as a case study
Alexander A. Matvienko et al.
IUCRJ (2017)
Reversible Thermosalient Effect of N'-2-Propylidene-4-hydroxybenzohydrazide Accompanied by an Immense Negative Compressibility: Structural and Theoretical Arguments Aiming toward the Elucidation of Jumping Phenomenon
Ivor Loncaric et al.
CRYSTAL GROWTH & DESIGN (2017)
Acoustic Emission from Organic Martensites
Manas K. Panda et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)
LOBSTER: A Tool to Extract Chemical Bonding from Plane-Wave Based DFT
Stefan Maintz et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2016)
Strong and Anomalous Thermal Expansion Precedes the Thermosalient Effect in Dynamic Molecular Crystals
Manas K. Panda et al.
SCIENTIFIC REPORTS (2016)
Mechanically Responsive Molecular Crystals
Pance Naumov et al.
CHEMICAL REVIEWS (2015)
How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of epsilon-glycine
Stephen A. Moggach et al.
CRYSTENGCOMM (2015)
Static and lattice vibrational energy differences between polymorphs
Jonas Nyman et al.
CRYSTENGCOMM (2015)
Crystal structure refinement with SHELXL
George M. Sheldrick
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY (2015)
Covalency of hydrogen bonds in solids revisited
Volker L. Deringer et al.
CHEMICAL COMMUNICATIONS (2014)
CRITIC2: A program for real-space analysis of quantum chemical interactions in solids
A. Otero-de-la-Roza et al.
COMPUTER PHYSICS COMMUNICATIONS (2014)
Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies
Trent M. Parker et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Colossal positive and negative thermal expansion and thermosalient effect in a pentamorphic organometallic martensite
Manas K. Panda et al.
NATURE COMMUNICATIONS (2014)
Analytic Projection From Plane-Wave and PAW Wavefunctions and Application to Chemical-Bonding Analysis in Solids
Stefan Maintz et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)
Biomimetic Crystalline Actuators: Structure-Kinematic Aspects of the Self-Actuation and Motility of Thermosalient Crystals
Subash Chandra Sahoo et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Kinematic and Mechanical Profile of the Self-Actuation of Thermosalient Crystal Twins of 1,2,4,5-Tetrabromobenzene: A Molecular Crystalline Analogue of a Bimetallic Strip
Subash Chandra Sahoo et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Isomorphous phase transition of 1,2,4,5-tetrabromobenzene jumping crystals studied by Brillouin light scattering
Jae-Hyeon Ko et al.
SOLID STATE COMMUNICATIONS (2013)
ShelXle: a Qt graphical user interface for SHELXL
Christian B. Huebschle et al.
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2011)
NCIPLOT: A Program for Plotting Noncovalent Interaction Regions
Julia Contreras-Garcia et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets
Volker L. Deringer et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Density fitting of intramonomer correlation effects in symmetry-adapted perturbation theory
Edward G. Hohenstein et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Optimal π-Stacking Interaction Energies in Parallel-Displaced Aryl/Aryl Dimers are Predicted by the Dimer Heavy Atom Count
John M. Sanders
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Revealing Noncovalent Interactions
Erin R. Johnson et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Structure validation in chemical crystallography
Anthony L. Spek
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2009)
A short history of SHELX
George M. Sheldrick
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (2008)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Variational density-functional perturbation theory for dielectrics and lattice dynamics
K Refson et al.
PHYSICAL REVIEW B (2006)
Re-entrant phase transition of the crystalline ion conductor Ag7P3S11
C Brinkmann et al.
SOLID STATE SCIENCES (2004)
Ordering phenomena and phase transitions in a spin-crossover compound-uncovering the nature of the intermediate phase of [Fe(2-PiC)(3)]Cl-2 center dot EtOH
D Chernyshov et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2003)
The Cambridge Structural Database: a quarter of a million crystal structures and rising
FH Allen
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE (2002)
Br•••Br and Br•••H interactions in action:: Polymorphism, hopping, and twinning in 1,2,4,5-tetrabromobenzene
HF Lieberman et al.
CHEMISTRY OF MATERIALS (2000)