- Home
- Publications
- Publication Search
- Publication Details
Title
On the DFT Ground State of Crystalline Bromine and Iodine
Authors
Keywords
-
Journal
CHEMPHYSCHEM
Volume 16, Issue 4, Pages 728-732
Publisher
Wiley
Online
2015-01-15
DOI
10.1002/cphc.201402890
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Diamond: Electronic Ground State of Carbon at Temperatures Approaching 0 K
- (2014) Wojciech Grochala ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- The Extended Stability Range of Phosphorus Allotropes
- (2014) Frederik Bachhuber et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Thermochemical Ranking and Dynamic Stability of TeO2 Polymorphs from Ab Initio Theory
- (2014) Volker L. Deringer et al. CRYSTAL GROWTH & DESIGN
- CRYSTAL14: A program for theab initioinvestigation of crystalline solids
- (2014) Roberto Dovesi et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Cooperativity of Halogen, Chalcogen, and Pnictogen Bonds in Infinite Molecular Chains by Electronic Structure Theory
- (2014) Janine George et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Condensed Astatine: Monatomic and Metallic
- (2013) Andreas Hermann et al. PHYSICAL REVIEW LETTERS
- First-Principles Investigations of the Structural, Vibrational and Thermochemical Properties of Barium Cerate - Another Test Case for Density-Functional Theory
- (2013) Ralf Peter Stoffel et al. ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
- Cryscor: a program for the post-Hartree–Fock treatment of periodic systems
- (2012) Cesare Pisani et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- 2D vs. 3D titanium dioxide: Role of dispersion interactions
- (2011) Daniel Forrer et al. CHEMICAL PHYSICS LETTERS
- Challenges for Density Functional Theory
- (2011) Aron J. Cohen et al. CHEMICAL REVIEWS
- Crystal-structure prediction of pyridine with four independent molecules
- (2011) Jacco van de Streek et al. CRYSTENGCOMM
- Effect of the damping function in dispersion corrected density functional theory
- (2011) Stefan Grimme et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- XtalOpt: An open-source evolutionary algorithm for crystal structure prediction
- (2010) David C. Lonie et al. COMPUTER PHYSICS COMMUNICATIONS
- 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
- Crystal structure prediction via particle-swarm optimization
- (2010) Yanchao Wang et al. PHYSICAL REVIEW B
- Long-Range-Corrected Hybrids Based on a New Model Exchange Hole
- (2009) Elon Weintraub et al. Journal of Chemical Theory and Computation
- First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures
- (2008) Atsushi Togo et al. PHYSICAL REVIEW B
- Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
- (2008) John P. Perdew et al. PHYSICAL REVIEW LETTERS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now