| Soft self-consistent pseudopotentials in a generalized eigenvalue formalism | Physical Review B | 1990 | 17.9K |
| An all‐electron numerical method for solving the local density functional for polyatomic molecules | Journal of Chemical Physics | 1990 | 7.9K |
| Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations | Journal of the American Chemical Society | 1990 | 5.4K |
| Reaction path following in mass-weighted internal coordinates | The Journal of Physical Chemistry | 1990 | 5K |
| DREIDING: a generic force field for molecular simulations | The Journal of Physical Chemistry | 1990 | 4.6K |
| The nature of .pi.-.pi. interactions | Journal of the American Chemical Society | 1990 | 4.4K |
| A simple measure of electron localization in atomic and molecular systems | Journal of Chemical Physics | 1990 | 4.3K |
| Solid phase microextraction with thermal desorption using fused silica optical fibers | Analytical Chemistry | 1990 | 3.9K |
| Encoding and decoding hydrogen-bond patterns of organic compounds | Accounts of Chemical Research | 1990 | 3.8K |
| Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis | Journal of Computational Chemistry | 1990 | 3.7K |
| Macromodel—an integrated software system for modeling organic and bioorganic molecules using molecular mechanics | Journal of Computational Chemistry | 1990 | 3.4K |
| The sol-gel process | Chemical Reviews | 1990 | 3.4K |
| Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films | Physical Review B | 1990 | 3.3K |
| Block copolymer thermodynamics: theory and experiment | Annual Review of Physical Chemistry | 1990 | 3.2K |
| Semianalytical treatment of solvation for molecular mechanics and dynamics | Journal of the American Chemical Society | 1990 | 3.2K |
| Solutions able to reproduce in vivo surface-structure changes in bioactive glass-ceramic A-W | Journal of Biomedical Materials Research Part B | 1990 | 3K |
| Dynamics of entangled linear polymer melts: A molecular‐dynamics simulation | Journal of Chemical Physics | 1990 | 2.8K |
| Molecular dynamics with electronic transitions | Journal of Chemical Physics | 1990 | 2.7K |
| Atomic charges derived from semiempirical methods | Journal of Computational Chemistry | 1990 | 2.7K |
| Second-order perturbation theory with a CASSCF reference function | The Journal of Physical Chemistry | 1990 | 2.6K |
| MOPAC: a semiempirical molecular orbital program | Journal of Computer-Aided Molecular Design | 1990 | 2.3K |
| Miniaturized total chemical analysis systems: A novel concept for chemical sensing | Sensors and Actuators B: Chemical | 1990 | 2.2K |
| Preparation of polymers with controlled molecular architecture. A new convergent approach to dendritic macromolecules | Journal of the American Chemical Society | 1990 | 2K |
| A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations | Journal of Computational Chemistry | 1990 | 2K |
