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János G. Ángyán
János G. Ángyán
Verified email at univ-lorraine.fr - Homepage
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Cited by
Cited by
Year
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), 2006
26942006
Improved description of the structure of molecular and layered crystals: ab initio DFT calculations with van der Waals corrections
T Bucko, J Hafner, S Lebčgue, JG Angyán
The Journal of Physical Chemistry A 114 (43), 11814-11824, 2010
11092010
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—Condensed Matter and Materials Physics 79 (15), 155107, 2009
10392009
Cohesive Properties and Asymptotics of the Dispersion Interaction<? format?> 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
4362010
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—Condensed Matter and Materials Physics 87 (6), 064110, 2013
3842013
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—Atomic, Molecular, and Optical Physics 72 (1), 012510, 2005
3562005
Adiabatic-Connection Fluctuation-Dissipation Density-Functional Theory Based<? format?> on Range Separation
J Toulouse, IC Gerber, G Jansen, A Savin, JG Angyán
Physical review letters 102 (9), 096404, 2009
3282009
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
3161994
Hybrid functional with separated range
IC Gerber, JG Angyán
Chemical physics letters 415 (1-3), 100-105, 2005
3052005
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
2941991
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
2931999
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), 2014
2312014
Improved density dependent correction for the description of London dispersion forces
T Bucko, S Lebegue, J Hafner, JG Angyan
Journal of chemical theory and computation 9 (10), 4293-4299, 2013
2262013
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
2061998
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
1732013
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
1681994
Geometry optimization of periodic systems using internal coordinates
T Bučko, J Hafner, JG Ángyán
The Journal of chemical physics 122 (12), 2005
1652005
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
1612011
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—Atomic, Molecular, and Optical Physics 82 (3), 032502, 2010
1602010
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
1541987
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