Articoli con mandati relativi all'accesso pubblico - János G. ÁngyánUlteriori informazioni
Non disponibile pubblicamente: 1
Assessment of a range-separated orbital-optimised random-phase approximation electron correlation method
A Heßelmann, J Ángyán
Theoretical Chemistry Accounts 137, 1-13, 2018
Mandati: German Research Foundation
Disponibili pubblicamente: 5
Cohesive Properties and Asymptotics of the Dispersion Interaction<? format?> in Graphite by the Random Phase Approximation
S Lebègue, J Harl, T Gould, JG Ángyán, G Kresse, JF Dobson
Physical review letters 105 (19), 196401, 2010
Mandati: Austrian Science Fund
Blind test of density-functional-based methods on intermolecular interaction energies
DCE Taylor, JG Ángyán, G Galli, C Zhang, F Gygi, K Hirao, JW Song, ...
The Journal of chemical physics 145 (12), 2016
Mandati: US National Science Foundation, US Department of Energy
The black polymorph of TTF-CA: TTF polymorphism and solvent effects in mechanochemical and vapor digestion syntheses, FT-IR, crystal packing, and electronic structure
SH Lapidus, A Naik, A Wixtrom, NE Massa, V Ta Phuoc, L del Campo, ...
Crystal growth & design 14 (1), 91-100, 2014
Mandati: Government of Argentina
Analytical energy gradients in range-separated hybrid density functional theory with random phase approximation
B Mussard, PG Szalay, JG Angyan
Journal of Chemical Theory and Computation 10 (5), 1968-1979, 2014
Mandati: Hungarian Scientific Research Fund
Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients
J Toulouse, E Rebolini, T Gould, JF Dobson, P Seal, JG Ángyán
The Journal of chemical physics 138 (19), 2013
Mandati: Australian Research Council
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