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id Title UGC Journal Category Publication Date Language Citations
8Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
  • Science: Chemistry
  • Technology: Chemical technology
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
1996/07/01English53,665
47UCSF Chimera—A visualization system for exploratory research and analysis
  • Science: Chemistry
  • Science: Chemistry: General. Including alchemy
2004/07/01English31,277
69Preparation of Graphitic Oxide
  • Science: Chemistry
  • Science: Chemistry: Analytical chemistry
  • Science: Chemistry: General. Including alchemy
1958/03/01English25,387
82Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
  • Science: Chemistry
  • Science: Chemistry: General. Including alchemy
2006/09/05English23,335
96Multiwfn: A multifunctional wavefunction analyzer
  • Science: Chemistry
  • Science: Chemistry: General. Including alchemy
2011/12/08English22,182
110Adsorption of Gases in Multimolecular Layers
  • Science: Chemistry
  • Science: Chemistry: Analytical chemistry
  • Science: Chemistry: General. Including alchemy
1938/02/01English20,195
126Reporting 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
1985/01/01English18,585
141General atomic and molecular electronic structure system
  • Science: Chemistry
  • Science: Chemistry: General. Including alchemy
1993/11/01English17,432
147Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells
  • Science: Chemistry
  • Science: Chemistry: Analytical chemistry
  • Science: Chemistry: General. Including alchemy
2009/04/14English17,045
170Effect of the damping function in dispersion corrected density functional theory
  • Science: Chemistry
  • Science: Chemistry: General. Including alchemy
2011/03/01English16,060
173THE ADSORPTION OF GASES ON PLANE SURFACES OF GLASS, MICA AND PLATINUM.
  • Science: Chemistry
  • Science: Chemistry: Analytical chemistry
  • Science: Chemistry: General. Including alchemy
1918/09/01English15,967
182Environmental Applications of Semiconductor Photocatalysis
  • Science: Chemistry
  • Science: Chemistry: General. Including alchemy
1995/01/01English15,365
185AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
  • Science: Chemistry
  • Science: Chemistry: General. Including alchemy
2009/04/27English15,202
187AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
  • Science: Chemistry
  • Science: Chemistry: General. Including alchemy
2009/06/04English15,158
188Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
  • Science: Chemistry
  • Science: Chemistry: General. Including alchemy
1988/09/01English15,148
233Quantum Mechanical Continuum Solvation Models
  • Science: Chemistry
  • Science: Chemistry: General. Including alchemy
2005/07/26English13,426
254Development and testing of a general amber force field
  • Science: Chemistry
  • Science: Chemistry: General. Including alchemy
2004/04/13English12,945
257Scalable molecular dynamics with NAMD
  • Science: Chemistry
  • Science: Chemistry: General. Including alchemy
2005/10/12English12,889
259Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
  • Science: Chemistry
  • Technology: Chemical technology
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
2012/11/01English12,769
273GROMACS: Fast, flexible, and free
  • Science: Chemistry
  • Science: Chemistry: General. Including alchemy
2005/10/06English12,370