| UCSF Chimera—A visualization system for exploratory research and analysis | |
- Science: Chemistry
- Science: Chemistry: General. Including alchemy
| 2004/07/01 | English | 31,277 |
| Preparation of Graphitic Oxide | |
- Science: Chemistry
- Science: Chemistry: Analytical chemistry
- Science: Chemistry: General. Including alchemy
| 1958/03/01 | English | 25,387 |
| Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction | |
- Science: Chemistry
- Science: Chemistry: General. Including alchemy
| 2006/09/05 | English | 23,335 |
| Multiwfn: A multifunctional wavefunction analyzer | |
- Science: Chemistry
- Science: Chemistry: General. Including alchemy
| 2011/12/08 | English | 22,182 |
| Adsorption of Gases in Multimolecular Layers | |
- Science: Chemistry
- Science: Chemistry: Analytical chemistry
- Science: Chemistry: General. Including alchemy
| 1938/02/01 | English | 20,195 |
| Reporting physisorption data for gas/solid systems with special reference to the determination of surface area and porosity (Recommendations 1984) | |
- Science: Chemistry
- Science: Chemistry: General. Including alchemy
| 1985/01/01 | English | 18,585 |
| General atomic and molecular electronic structure system | |
- Science: Chemistry
- Science: Chemistry: General. Including alchemy
| 1993/11/01 | English | 17,432 |
| Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells | |
- Science: Chemistry
- Science: Chemistry: Analytical chemistry
- Science: Chemistry: General. Including alchemy
| 2009/04/14 | English | 17,045 |
| Effect of the damping function in dispersion corrected density functional theory | |
- Science: Chemistry
- Science: Chemistry: General. Including alchemy
| 2011/03/01 | English | 16,060 |
| THE ADSORPTION OF GASES ON PLANE SURFACES OF GLASS, MICA AND PLATINUM. | |
- Science: Chemistry
- Science: Chemistry: Analytical chemistry
- Science: Chemistry: General. Including alchemy
| 1918/09/01 | English | 15,967 |
| Environmental Applications of Semiconductor Photocatalysis | |
- Science: Chemistry
- Science: Chemistry: General. Including alchemy
| 1995/01/01 | English | 15,365 |
| AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility | |
- Science: Chemistry
- Science: Chemistry: General. Including alchemy
| 2009/04/27 | English | 15,202 |
| AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading | |
- Science: Chemistry
- Science: Chemistry: General. Including alchemy
| 2009/06/04 | English | 15,158 |
| Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint | |
- Science: Chemistry
- Science: Chemistry: General. Including alchemy
| 1988/09/01 | English | 15,148 |
| Quantum Mechanical Continuum Solvation Models | |
- Science: Chemistry
- Science: Chemistry: General. Including alchemy
| 2005/07/26 | English | 13,426 |
| Development and testing of a general amber force field | |
- Science: Chemistry
- Science: Chemistry: General. Including alchemy
| 2004/04/13 | English | 12,945 |
| Scalable molecular dynamics with NAMD | |
- Science: Chemistry
- Science: Chemistry: General. Including alchemy
| 2005/10/12 | English | 12,889 |
| GROMACS: Fast, flexible, and free | |
- Science: Chemistry
- Science: Chemistry: General. Including alchemy
| 2005/10/06 | English | 12,370 |
| Physisorption of gases, with special reference to the evaluation of surface area and pore size distribution (IUPAC Technical Report) | |
- Science: Chemistry
- Science: Chemistry: General. Including alchemy
| 2015/07/02 | English | 11,977 |
| CHARMM: A program for macromolecular energy, minimization, and dynamics calculations | |
- Science: Chemistry
- Science: Chemistry: General. Including alchemy
| 1983/06/01 | English | 11,759 |