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THEORETICAL CHEMISTRY ACCOUNTS (INTERNET)
Journal
Identifier:
E191616
ISSN:
1432-2234
Overview
Overview
Outputs (7)
Accuracy of basis-set extrapolation schemes for DFT-RPA correlation energies in molecular calculations
Academic Article
Computational 19F NMR. 1. General Features
Academic Article
DFT/TDDFT investigation of the stepwise deprotonation in tetracycline: pKa assignment and UV-vis spectroscopy
Academic Article
Electronic spectroscopy of a solvatochromic dye in water: comparison of static cluster/implicit and dynamical/explicit solvent models on structures and energies
Academic Article
MD simulations of plant hemoglobins: the hexa- to penta-coordinate structural transition
Academic Article
Spectroscopy from quantum dynamics: a mixed wave function/analytical line shape functions approach
Academic Article
Theoretical investigation of molecular excited states of polar organic monolayers via an efficient embedding approach
Academic Article
No Results Found
