| Supercooled Liquids and Glasses | 1996/01/01 | English | 1,733 |
| Surface Roughness and Contact Angle. | 1949/09/01 | English | 1,704 |
| Transferable Scaling Factors for Density Functional Derived Vibrational Force Fields | 1995/03/01 | English | 1,693 |
| Current Status of Transition-State Theory | 1996/01/01 | English | 1,614 |
| Nanometer-sized semiconductor clusters: materials synthesis, quantum size effects, and photophysical properties | 1991/01/01 | English | 1,597 |
| ONIOM: A Multilayered Integrated MO + MM Method for Geometry Optimizations and Single Point Energy Predictions. A Test for Diels−Alder Reactions and Pt(P(t-Bu)3)2 + H2 Oxidative Addition | 1996/01/01 | English | 1,588 |
| QUANTUM EFFICIENCIES OF FLUORESCENCE OF ORGANIC SUBSTANCES: EFFECT OF SOLVENT AND CONCENTRATION OF THE FLUORESCENT SOLUTE1 | 1961/02/01 | English | 1,579 |
| Molecular Orbital View of Chemisorbed Carbon Monoxide | 1964/10/01 | English | 1,536 |
| Time-dependent quantum-mechanical methods for molecular dynamics | 1988/04/01 | English | 1,497 |
| The Application of Thermoanalytical Techniques to Reaction Kinetics: The Thermogravimetric Evaluation of the Kinetics of the Decomposition of Calcium Oxalate Monohydrate | 1958/04/01 | English | 1,479 |
| Physicochemical properties of small metal particles in solution: "microelectrode" reactions, chemisorption, composite metal particles, and the atom-to-metal transition | 1993/05/01 | English | 1,380 |
| Self-diffusion in normal and heavy water in the range 1-45.deg. | 1973/03/01 | English | 1,374 |
| Ion-water interaction potentials derived from free energy perturbation simulations | 1990/10/01 | English | 1,364 |
| Thermodynamics of electrolytes. II. Activity and osmotic coefficients for strong electrolytes with one or both ions univalent | 1973/09/01 | English | 1,360 |
| Electrospray ion source. Another variation on the free-jet theme | 1984/09/01 | English | 1,329 |
| Contemporary Issues in Electron Transfer Research | 1996/01/01 | English | 1,287 |
| The Occurrence of Metastable Tetragonal Zirconia as a Crystallite Size Effect | 1965/04/01 | English | 1,240 |
| Size Effects on the Photophysical Properties of Colloidal Anatase TiO2 Particles: Size Quantization versus Direct Transitions in This Indirect Semiconductor? | 1995/11/01 | English | 1,229 |
| Surface-enhanced resonance Raman spectroscopy of Rhodamine 6G adsorbed on colloidal silver | 1984/11/01 | English | 1,225 |
| Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acids | 1975/10/01 | English | 1,191 |
| Carbon Dioxide's Liquid-Vapor Coexistence Curve And Critical Properties as Predicted by a Simple Molecular Model | 1995/08/01 | English | 1,161 |
| OXYGEN QUENCHING OF FLUORESCENCE IN SOLUTION: AN EXPERIMENTAL STUDY OF THE DIFFUSION PROCESS | 1962/03/01 | English | 1,146 |
| Solubility of solids and liquids in supercritical gases | 1982/07/01 | English | 1,137 |
| Solvent Effects. 5. Influence of Cavity Shape, Truncation of Electrostatics, and Electron Correlation on ab Initio Reaction Field Calculations | 1996/01/01 | English | 1,123 |
| Carbon-hydrogen stretching modes and the structure of n-alkyl chains. 1. Long, disordered chains | 1982/12/01 | English | 1,103 |
| Coupled-cluster approach to molecular structure and spectra: a step toward predictive quantum chemistry | 1989/03/01 | English | 1,103 |
| An elementary molecular theory of classical fluids. Pure fluids | 1976/10/01 | English | 1,089 |
| Statistical theory of the adsorption of interacting chain molecules. 1. Partition function, segment density distribution, and adsorption isotherms | 1979/06/01 | English | 1,074 |
| Intermolecular Nonbonded Contact Distances in Organic Crystal Structures: Comparison with Distances Expected from van der Waals Radii | 1996/01/01 | English | 1,054 |
| A Theory for the Estimation of Surface and Interfacial Energies. I. Derivation and Application to Interfacial Tension | 1957/07/01 | English | 1,050 |