Nedávné publikace

Benchmark Data Sets of Boron Cluster Dihydrogen Bonding for the Validation of Approximate Computational Methods
ChemPhysChem 2020: Early View
SQM/COSMO Scoring Function: Reliable Quantum‐Mechanical Tool for Sampling and Ranking in Structure‐Based Drug Design
ChemPlusChem 2020: Early View
Mechanical force-induced manipulation of electronic conductance in a spin-crossover complex: a simple approach to molecular electronics
Nanoscale Advances 2 (7): 2907-2913 (2020)
Ground state of the Fe(II)-porphyrin model system corresponds to quintet: a DFT and DMRG-based tailored CC study
A. Antalík
D. Nachtigallová R. Lo
M. Matoušek
J. Lang
Ö. Legeza
J. Pittner
P. Hobza
L. Veis
Physical Chemistry Chemical Physics 22 (30): 17033-17037 (2020)