T. Thonhauser
Inorganic Chemistry · 2003–2017
A researcher in the Science corpus: 11 papers; trusts 7 researchers and is trusted by 0 researchers here, as inferred from the citation graph.
Subfields
- Inorganic Chemistry — 91 citations into it
- Atomic and Molecular Physics, and Optics — 89 citations into it
- Physical and Theoretical Chemistry — 16 citations into it
- Spectroscopy — 14 citations into it
Whom T. Thonhauser trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
Who trusts T. Thonhauser overall
Papers from T. Thonhauser's perspective
Ordered by how strongly the researchers T. Thonhauser trusts endorse each paper. Same corpus, a different order for every researcher.
- Density-functional exchange-energy approximation with correct asymptotic behavior.
- Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
- Van der Waals density functionals applied to solids
- Interlayer cohesive energy of graphite from thermal desorption of polyaromatic hydrocarbons
- Towards extending the applicability of density functional theory to weakly bound systems
- Perspective on density functional theory. (Journal of Chemical Physics)
- FAST TRACK COMMUNICATION: Chemical accuracy for the van der Waals density functional
- Higher-accuracy van der Waals density functional
- Accurate description of van der Waals complexes by density functional theory including empirical corrections (Journal of Computational Chemistry)
- Semiempirical hybrid density functional with perturbative second-order correlation. (Journal of Chemical Physics)
Their papers
- Thermoelectric properties of Sb 2 Te 3 under pressure and uniaxial stress (2003) — 158 citations
- Advanced capabilities for materials modelling with Quantum ESPRESSO (2017) — 6,165 citations
- Understanding and controlling water stability of MOF-74 (2016) — 156 citations
- Competitive Coadsorption of CO2 with H2O, NH3, SO2, NO, NO2, N2, O2, and CH4 in M-MOF-74 (M = Mg, Co, Ni): The Role of Hydrogen Bonding (2015) — 172 citations
- Materials for Hydrogen Storage (2015) — 264 citations
- Water Reaction Mechanism in Metal Organic Frameworks with Coordinatively Unsaturated Metal Ions: MOF-74 (2014) — 184 citations
- van der Waals forces in density functional theory: a review of the vdW-DF method (2014) — 731 citations
- Stability and Hydrolyzation of Metal Organic Frameworks with Paddle-Wheel SBUs upon Hydration (2012) — 409 citations
- Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond (2007) — 947 citations
- Orbital magnetization in crystalline solids: Multi-band insulators, Chern insulators, and metals (2005) — 244 citations
- Transport coefficients from first-principles calculations (2003) — 643 citations