Concepedia

K. Doll

KD

Statistics

Publications

58

Citations

3.2K

H-Index

34

Active since

1993

Affiliations

Max Planck Institute for Solid State Research(Current)

Technische Universität Braunschweig

University of Stuttgart

Universität Ulm

University of Turin

K. Doll is an author at Max Planck Institute for Solid State Research specializing in engineering, materials science, and chemistry.

ORCID

Top concepts

Publications per year

1993–2020

58

Publications

58

Analytical Hartree-Fock gradients for periodic systems

K. Doll, V. R. Saunders, N. M. Harrison · International Journal of Quantum Chemistry · 2001 · 292 citations

, , +14

The CRYSTAL code, 1976–2020 and beyond, a long story

Roberto Dovesi, Fabien Pascale, Bartolomeo Civalleri et al. · The Journal of Chemical Physics · 2020 · 204 citations · Full text

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 forsterite Mg<sub>2</sub>SiO<sub>4</sub>

Marco De La Pierre, Roberto Orlando, Lorenzo Maschio et al. · Journal of Computational Chemistry · 2011 · 148 citations

Chlorine adsorption on the Cu(111) surface

K. Doll, N. M. Harrison · Chemical Physics Letters · 2000 · 125 citations · Full text

, , +6

Analytical Hartree?Fock gradients with respect to the cell parameter for systems periodic in three dimensions

K. Doll, Roberto Dovesi, Roberto Orlando · Theoretical Chemistry Accounts · 2004 · 111 citations

, , +10

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