Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions | Journal of Chemical Physics | 1980 | 12.8K |
Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18 | Journal of Chemical Physics | 1980 | 7.3K |
Molecular dynamics simulations at constant pressure and/or temperature | Journal of Chemical Physics | 1980 | 4.3K |
Relationships between the carbon-oxygen stretching frequencies of carboxylato complexes and the type of carboxylate coordination | Coordination Chemistry Reviews | 1980 | 4.2K |
Natural hybrid orbitals | Journal of the American Chemical Society | 1980 | 4K |
Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements | Journal of the American Chemical Society | 1980 | 3.4K |
Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges | Tetrahedron | 1980 | 3.3K |
Theory of Microphase Separation in Block Copolymers | Macromolecules | 1980 | 3.2K |
A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach | Chemical Physics | 1980 | 2.8K |
Soliton excitations in polyacetylene | Physical Review B | 1980 | 2.6K |
LixCoO2 (0 | Materials Research Bulletin | 1980 | 2.6K |
The first practical method for asymmetric epoxidation | Journal of the American Chemical Society | 1980 | 2.3K |
Natural abundance nitrogen-15 NMR by enhanced heteronuclear spectroscopy | Chemical Physics Letters | 1980 | 2.2K |
Conformations of Polymers Attached to an Interface | Macromolecules | 1980 | 1.9K |
The relationship between proton-proton NMR coupling constants and substituent electronegativities—I | Tetrahedron | 1980 | 1.9K |
Convergence acceleration of iterative sequences. the case of scf iteration | Chemical Physics Letters | 1980 | 1.8K |
Elastic/Plastic Indentation Damage in Ceramics: The Median/Radial Crack System | Journal of the American Ceramic Society | 1980 | 1.6K |
The isomers of silacyclopropane | Chemical Physics Letters | 1980 | 1.5K |
Critical exponents from field theory | Physical Review B | 1980 | 1.5K |
Slightly curved or kinked cracks | International Journal of Fracture | 1980 | 1.4K |
Effects of hydrogen on the properties of iron and steel | Metallurgical and Materials Transactions A - Physical Metallurgy and Materials Science | 1980 | 1.4K |
Elucidation of cross relaxation in liquids by two-dimensional N.M.R. spectroscopy | Molecular Physics | 1980 | 1.4K |
Sideband intensities in NMR spectra of samples spinning at the magic angle | Journal of Chemical Physics | 1980 | 1.4K |
Guidelines for data acquisition and data quality evaluation in environmental chemistry | Analytical Chemistry | 1980 | 1.3K |
Organized monolayers by adsorption. 1. Formation and structure of oleophobic mixed monolayers on solid surfaces | Journal of the American Chemical Society | 1980 | 1.3K |