Uncategorized
DOCK 6: Incorporating hierarchical traversal through precomputed ligand conformations to enable large‐scale docking
Journal of Computational Chemistry, EarlyView.
Uncategorized
Calcium Complexes Bearing Dianionic or Monoanionic Iminoacenaphthen‐1‐one Ligands: Synthesis, Reactions with Alkynes and Catalysis of L‐lactide Polymerization
European Journal of Inorganic Chemistry, Accepted Article.
Uncategorized
The Coordination and Catalytic Chemistry of Phosphanylferrocene Chalcogenides
European Journal of Inorganic Chemistry, EarlyView.
Uncategorized
Anion and Light Responsive Molecular Switches Based on Stilbene‐Appended Ru(II) Terpyridyl‐Imidazole Complexes That Mimic Advanced Boolean and Fuzzy Logic Operations
European Journal of Inorganic Chemistry, EarlyView.
Uncategorized
Issue Information
Journal of Computational Chemistry, Volume 43, Issue 21, Page 1389-1393, August 5, 2022.
Uncategorized
Tree Parzen estimator for global geometry optimization: A benchmark and database of experimental gas‐phase structures of organic molecules
Journal of Computational Chemistry, Volume 43, Issue 21, Page 1434-1441, August 5, 2022.
Uncategorized
Dipolar 1,3‐cycloaddition of thioformaldehyde S‐methylide (CH2SCH2) to ethylene and acetylene. A comparison with (valence) isoelectronic O3, SO2, CH2OO and CH2SO
Journal of Computational Chemistry, Volume 43, Issue 21, Page 1420-1433, August 5, 2022.
Uncategorized
Assessment of density functional approximations for N2 and CO2 physisorption on benzene and graphene
Journal of Computational Chemistry, Volume 43, Issue 21, Page 1403-1419, August 5, 2022.
Uncategorized
Assessment of DLPNO‐CCSD(T)‐F12 and its use for the formulation of the low‐cost and reliable L‐W1X composite method
Journal of Computational Chemistry, Volume 43, Issue 21, Page 1394-1402, August 5, 2022.
Uncategorized
Cover Image
Journal of Computational Chemistry, Volume 43, Issue 21, Page i-i, August 5, 2022.