Platinum–nucleobase PtN4 complexes as chemotypes for selective peptide reactions with biomolecules

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

Andreas Klamt, Gerrit Schüürmann · Journal of the Chemical Society Perkin Transactions 2 · 1993 · 9.3K citations

Engineering, Computational Chemistry, Chemistry +17

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

Thom H. Dunning · The Journal of Chemical Physics · 1970 · 5K citations

Nitrogen Molecules, Engineering, Computational Chemistry +16

Treatment of the outlying charge in continuum solvation models

Andreas Klamt, Volker Jonas · The Journal of Chemical Physics · 1996 · 849 citations

Molecular Solid, Continuum Solvation Models, Engineering +14

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

Structure of the HIV-1 Nucleocapsid Protein Bound to the SL3 Ψ-RNA Recognition Element

Roberto N. De Guzman, Zheng Rong Wu, Chelsea C. Stalling et al. · Science · 1998 · 631 citations