János G. Ángyán
János G. Ángyán
Verified email at univ-lorraine.fr - Homepage
TitleCited byYear
Screened hybrid density functionals applied to solids
J Paier, M Marsman, K Hummer, G Kresse, IC Gerber, JG Ángyán
The Journal of chemical physics 124 (15), 154709, 2006
16402006
Improved description of the structure of molecular and layered crystals: ab initio DFT calculations with van der Waals corrections
T Bucko, J Hafner, S Lebegue, JG Angyán
The Journal of Physical Chemistry A 114 (43), 11814-11824, 2010
6032010
Assessing the performance of recent density functionals for bulk solids
GI Csonka, JP Perdew, A Ruzsinszky, PHT Philipsen, S Lebčgue, J Paier, ...
Physical Review B 79 (15), 155107, 2009
4052009
Cohesive properties and asymptotics of the dispersion interaction in graphite by the random phase approximation
S Lebčgue, J Harl, T Gould, JG Ángyán, G Kresse, JF Dobson
Physical review letters 105 (19), 196401, 2010
3192010
van der Waals forces in density functional theory: Perturbational long-range electron-interaction corrections
JG Angyán, IC Gerber, A Savin, J Toulouse
Physical Review A 72 (1), 012510, 2005
2892005
Peptide models. 1. Topology of selected peptide conformational potential energy surfaces (glycine and alanine derivatives)
A Perczel, JG Angyan, M Kajtar, W Viviani, JL Rivail, JF Marcoccia, ...
Journal of the American chemical society 113 (16), 6256-6265, 1991
2741991
Covalent bond orders and atomic valence indices in the topological theory of atoms in molecules
JG Angyan, M Loos, I Mayer
The Journal of Physical Chemistry 98 (20), 5244-5248, 1994
2701994
Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation
J Toulouse, IC Gerber, G Jansen, A Savin, JG Angyán
Physical review letters 102 (9), 096404, 2009
2412009
Polymorphism in silica studied in the local density and generalized-gradient approximations
T Demuth, Y Jeanvoine, J Hafner, JG Angyan
Journal of Physics: Condensed Matter 11 (19), 3833, 1999
2341999
Hybrid functional with separated range
IC Gerber, JG Angyán
Chemical physics letters 415 (1-3), 100-105, 2005
2302005
Tkatchenko-Scheffler van der Waals correction method with and without self-consistent screening applied to solids
T Bučko, S Lebčgue, J Hafner, JG Angyan
Physical Review B 87 (6), 064110, 2013
2282013
Brřnsted acid sites in HSAPO-34 and chabazite: an ab initio structural study
Y Jeanvoine, JG Ángyán, G Kresse, J Hafner
The Journal of Physical Chemistry B 102 (29), 5573-5580, 1998
1681998
Distributed polarizabilities using the topological theory of atoms in molecules
JG Ángyán, G Jansen, M Loss, C Hättig, BA Heß
Chemical physics letters 219 (3-4), 267-273, 1994
1561994
Bonding between nonbonded sulfur and oxygen atoms in selected organic molecules (a quantum chemical study)
JG Angyan, RA Poirier, A Kucsman, IG Csizmadia
Journal of the American Chemical Society 109 (8), 2237-2245, 1987
1311987
Chalcogen bonding: experimental and theoretical determinations from electron density analysis. Geometrical preferences driven by electrophilic–nucleophilic interactions
ME Brezgunova, J Lieffrig, E Aubert, S Dahaoui, P Fertey, S Lebègue, ...
Crystal Growth & Design 13 (8), 3283-3289, 2013
1142013
Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions
W Zhu, J Toulouse, A Savin, JG Ángyán
The Journal of chemical physics 132 (24), 244108, 2010
1122010
Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications
J Toulouse, W Zhu, JG Angyán, A Savin
Physical Review A 82 (3), 032502, 2010
1112010
Comparison of ab initio Hartree− Fock and Kohn− Sham orbitals in the calculation of atomic charge, bond index, and valence
T Kar, JG Ángyán, AB Sannigrahi
The Journal of Physical Chemistry A 104 (44), 9953-9963, 2000
1082000
Extending the applicability of the Tkatchenko-Scheffler dispersion correction via iterative Hirshfeld partitioning
T Bučko, S Lebčgue, JG Ángyán, J Hafner
The Journal of chemical physics 141 (3), 034114, 2014
1052014
Correlation energy expressions from the adiabatic-connection fluctuation–dissipation theorem approach
JG Ángyán, RF Liu, J Toulouse, G Jansen
Journal of chemical theory and computation 7 (10), 3116-3130, 2011
1052011
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