| Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set | Physical Review B | 1996 | 67.1K |
| Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set | Computational Materials Science | 1996 | 41.7K |
| Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids | Journal of the American Chemical Society | 1996 | 9.8K |
| Mass spectrometric sequencing of proteins silver-stained polyacrylamide gels | Analytical Chemistry | 1996 | 7.8K |
| Formation and Structure of Self-Assembled Monolayers | Chemical Reviews | 1996 | 6.8K |
| Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors | The Journal of Physical Chemistry | 1996 | 6.2K |
| Current-driven excitation of magnetic multilayers | Journal of Magnetism and Magnetic Materials | 1996 | 5.1K |
| Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory | Chemical Physics Letters | 1996 | 4.7K |
| Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe | Journal of the American Chemical Society | 1996 | 4.7K |
| Generalized gradient approximation for the exchange-correlation hole of a many-electron system | Physical Review B | 1996 | 4.6K |
| AQUA and PROCHECK-NMR: programs for checking the quality of protein structures solved by NMR | Journal of Biomolecular NMR | 1996 | 4.2K |
| Separable dual-space Gaussian pseudopotentials | Physical Review B | 1996 | 4.1K |
| Rationale for mixing exact exchange with density functional approximations | Journal of Chemical Physics | 1996 | 3.9K |
| Hydrophobic, Highly Conductive Ambient-Temperature Molten Salts | Inorganic Chemistry | 1996 | 3.9K |
| Emission of spin waves by a magnetic multilayer traversed by a current | Physical Review B | 1996 | 3.7K |
| Domino Reactions in Organic Synthesis | Chemical Reviews | 1996 | 3.5K |
| Edge state in graphene ribbons: Nanometer size effect and edge shape dependence | Physical Review B | 1996 | 3.4K |
| Chemical Redox Agents for Organometallic Chemistry | Chemical Reviews | 1996 | 3.1K |
| Perspectives on the Physical Chemistry of Semiconductor Nanocrystals | The Journal of Physical Chemistry | 1996 | 3.1K |
| A New Equation of State for Carbon Dioxide Covering the Fluid Region from the Triple‐Point Temperature to 1100 K at Pressures up to 800 MPa | Journal of Physical and Chemical Reference Data | 1996 | 3.1K |
| Polymer Layered Silicate Nanocomposites | Advanced Materials | 1996 | 3K |
| Multicopper Oxidases and Oxygenases | Chemical Reviews | 1996 | 3K |
| Surface Plasmon Spectroscopy of Nanosized Metal Particles | Langmuir | 1996 | 3K |
| Nanometre diameter fibres of polymer, produced by electrospinning | Nanotechnology | 1996 | 2.9K |
| Ab initio study of solvated molecules: a new implementation of the polarizable continuum model | Chemical Physics Letters | 1996 | 2.7K |
