Jan Andzelm

Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation

Nathalie Godbout, Dennis R. Salahub, Jan Andzelm et al. · Canadian Journal of Chemistry · 1992 · 3K citations

Engineering, Part I. Boron, Magnetic Resonance +20

A generalized synchronous transit method for transition state location

Niranjan Govind, Max Petersen, George Fitzgerald et al. · Computational Materials Science · 2003 · 1.3K citations

Transport Network Analysis, Synchronization Protocol, Systems Engineering +3

Density functional Gaussian-type-orbital approach to molecular geometries, vibrations, and reaction energies

Jan Andzelm, E. Wimmer · The Journal of Chemical Physics · 1992 · 960 citations

Engineering, Reaction Energies, Physics +15

Incorporation of solvent effects into density functional calculations of molecular energies and geometries

Jan Andzelm, Christoph Kölmel, Andreas Klamt · The Journal of Chemical Physics · 1995 · 848 citations

Engineering, Molecular Energies, Computational Chemistry +17

A local density functional study of the structure and vibrational frequencies of molecular transition-metal compounds

Carlos Sosa, Jan Andzelm, Brad C. Elkin et al. · The Journal of Physical Chemistry · 1992 · 757 citations

Materials Science, Metal Chain Compound, Engineering +14