| All-atom empirical potential for molecular modeling and dynamics studies of proteins | Journal of Physical Chemistry B | 1998 | 11.4K |
| Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model | Journal of Physical Chemistry A | 1998 | 6.8K |
| An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules | Journal of Chemical Physics | 1998 | 4.3K |
| Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold | Journal of Chemical Physics | 1998 | 4.2K |
| COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds | Journal of Physical Chemistry B | 1998 | 4K |
| Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The mPW and mPW1PW models | Journal of Chemical Physics | 1998 | 2.7K |
| Structure of Graphite Oxide Revisited‖ | Journal of Physical Chemistry B | 1998 | 2.6K |
| Gaussian-3 (G3) theory for molecules containing first and second-row atoms | Journal of Chemical Physics | 1998 | 2.6K |
| Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities | Chemical Physics Letters | 1998 | 2.4K |
| Towards an order- | Theoretical Chemistry Accounts | 1998 | 2.3K |
| RI-MP2: optimized auxiliary basis sets and demonstration of efficiency | Chemical Physics Letters | 1998 | 2.2K |
| Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update | Journal of Physical and Chemical Reference Data | 1998 | 2.2K |
| Formation of Titanium Oxide Nanotube | Langmuir | 1998 | 2.1K |
| Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes | Journal of Physical Chemistry B | 1998 | 2.1K |
| The surface energy of metals | Surface Science | 1998 | 2K |
| Nanoengineering of optical resonances | Chemical Physics Letters | 1998 | 1.9K |
| Basis-set convergence in correlated calculations on Ne, N2, and H2O | Chemical Physics Letters | 1998 | 1.8K |
| Alkanethiolate Gold Cluster Molecules with Core Diameters from 1.5 to 5.2 nm: Core and Monolayer Properties as a Function of Core Size | Langmuir | 1998 | 1.6K |
| THE HITRAN MOLECULAR SPECTROSCOPIC DATABASE AND HAWKS (HITRAN ATMOSPHERIC WORKSTATION): 1996 EDITION | Journal of Quantitative Spectroscopy and Radiative Transfer | 1998 | 1.6K |
| Fourier transform ion cyclotron resonance mass spectrometry: a primer | Mass Spectrometry Reviews | 1998 | 1.5K |
| 6-31G* basis set for atoms K through Zn | Journal of Chemical Physics | 1998 | 1.5K |
| SUBMILLIMETER, MILLIMETER, AND MICROWAVE SPECTRAL LINE CATALOG | Journal of Quantitative Spectroscopy and Radiative Transfer | 1998 | 1.4K |
| Ab initio study of ionic solutions by a polarizable continuum dielectric model | Chemical Physics Letters | 1998 | 1.4K |
| Surface studies of supported model catalysts | Surface Science Reports | 1998 | 1.3K |
| Refinement and Parametrization of COSMO-RS | Journal of Physical Chemistry A | 1998 | 1.3K |
