Klaus Doll
Klaus Doll
Unknown affiliation
Verified email at theochem.uni-stuttgart.de
Title
Cited by
Cited by
Year
CRYSTAL09 user’s manual
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino 6, 2009
20472009
CRYSTAL17
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
Gruppo di Chimica Teorica, Dipartimento di Chimica, 2017
6822017
CRYSTAL2003 user’s manual
VR Saunders, R Dovesi, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino 14, 2003
4532003
Analytical Hartree–Fock gradients for periodic systems
K Doll, VR Saunders, NM Harrison
International Journal of Quantum Chemistry 82 (1), 1-13, 2001
2692001
Implementation of analytical Hartree–Fock gradients for periodic systems
K Doll
Computer Physics Communications 137 (1), 74-88, 2001
1932001
Ab initio study of the vibrational spectrum and related properties of crystalline compounds; the case of CaCO3 calcite
L Valenzano, FJ Torres, K Doll, F Pascale, CM Zicovich-Wilson, R Dovesi
Zeitschrift für Physikalische Chemie 220 (7), 893-912, 2006
1782006
Chlorine adsorption on the Cu (111) surface
K Doll, NM Harrison
Chemical Physics Letters 317 (3-5), 282-289, 2000
1292000
Crystal06
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
1282006
CRYSTAL06 User’s Manual; University of Torino: Torino, 2006
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
There is no corresponding record for this reference.[Google Scholar], 0
128
A density functional study of lithium bulk and surfaces
K Doll, NM Harrison, VR Saunders
Journal of Physics: Condensed Matter 11 (26), 5007, 1999
1111999
CO adsorption on the Pt (1 1 1) surface: a comparison of a gradient corrected functional and a hybrid functional
K Doll
Surface science 573 (3), 464-473, 2004
1092004
Performance of six functionals (LDA, PBE, PBESOL, B3LYP, PBE0, and WC1LYP) in the simulation of vibrational and dielectric properties of crystalline compounds. The case of …
M De La Pierre, R Orlando, L Maschio, K Doll, P Ugliengo, R Dovesi
Journal of computational chemistry 32 (9), 1775-1784, 2011
1042011
Correlation effects in ionic crystals: The cohesive energy of MgO
K Doll, M Dolg, P Fulde, H Stoll
Physical Review B 52 (7), 4842, 1995
1031995
Ab initio investigation of structure and cohesive energy of crystalline urea
B Civalleri, K Doll, CM Zicovich-Wilson
The Journal of Physical Chemistry B 111 (1), 26-33, 2007
962007
Analytical Hartree–Fock gradients with respect to the cell parameter for systems periodic in three dimensions
K Doll, R Dovesi, R Orlando
Theoretical Chemistry Accounts 112 (5-6), 394-402, 2004
892004
Predicting solid compounds via global exploration of the energy landscape of solids on the ab initio level without recourse to experimental information
JC Schön, K Doll, M Jansen
physica status solidi (b) 247 (1), 23-39, 2010
882010
Quantum chemical approach to cohesive properties of NiO
K Doll, M Dolg, P Fulde, H Stoll
Physical Review B 55 (16), 10282, 1997
881997
D, Arco, P.; Llunell, M
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
CRYSTAL09 User’s Manual, 2009
822009
Structure prediction based on ab initio simulated annealing for boron nitride
K Doll, JC Schön, M Jansen
Physical Review B 78 (14), 144110, 2008
762008
Correlation effects in MgO and CaO: Cohesive energies and lattice constants
K Doll, M Dolg, H Stoll
Physical Review B 54 (19), 13529, 1996
751996
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