Experimental and computational approach to the rational monitoring of hydrogen-bonding interaction of 2-Imidazolidinethione with DNA and guanine

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations

Electron Density, Chemical Thermodynamics, Engineering +13

Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr

B. Miehlich, Andreas Savin, Hermann Stoll · Chemical Physics Letters · 1989 · 7.2K citations

Nuclear Physics, Physics, Many-body Quantum Physic +5

A complete basis set model chemistry. I. The total energies of closed-shell atoms and hydrides of the first-row elements

George A. Petersson, Andrew F. Bennett, Thomas G. Tensfeldt et al. · The Journal of Chemical Physics · 1988 · 3K citations

Engineering, Theoretical Inorganic Chemistry, Truncation Errors +16

A complete basis set model chemistry. II. Open-shell systems and the total energies of the first-row atoms

George A. Petersson, Mohammad A. Al‐Laham · The Journal of Chemical Physics · 1991 · 3K citations

Engineering, Truncation Errors, Computational Chemistry +19

Molecular structure of a left-handed double helical DNA fragment at atomic resolution

Andrew H.‐J. Wang, Gary J. Quigley, Francis J. Kolpak et al. · Nature · 1979 · 2.1K citations

Crystal Structure, Dna Nanotechnology, Dna +10