# SEARCH

** Ab initio calculations of geometries **

** Aluminosilicates calculated geometry **

** Benchmark Calculations for Molecular Systems—Energy and Geometry **

** Calculated optimized geometries **

** Calculating Hydrogen-Bond Geometries **

** Calculating the Uncompensated Solution Resistance for a Few Simple Geometries **

** Calculation of Fragment Geometry **

** Calculations (contact geometries **

** Crystal structures, polymers geometry calculations **

** Cyclodextrin-guest geometry by calculated 13C shifts **

** DFT, in calculating geometries effects **

** DFT, in calculating geometries insensitivity with respect to multireference **

** DFT, in calculating geometries limitations **

** Equilibrium geometries property calculations **

** Equilibrium geometries thermochemical calculations **

** Experimental and calculated geometries **

** Geometries of simple polyatomic molecules from KRHF calculations **

** Geometries, calculated accurate **

** Geometry, derivatives, calculations with **

** How to calculate molecular geometry **

** Hyperfine structure calculations for geometry determination **

** Molecular geometry, calculations **

** Molecular orbital calculations ligand geometry **

** Molecular orbital calculations of transition state geometries **

** Optimization calculations, partial geometry **

** Prediction of properties other than equilibrium geometries from Hartree-Fock-Roothaan calculations **