15,148
Journals
2.5M
Articles
73.6M
Citations
Authors

Most Cited Articles of Chemistry

TitleJournalYearCitations
Density‐functional thermochemistry. III. The role of exact exchangeJournal of Chemical Physics199379.7K
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron densityPhysical Review B198875.4K
A short history of SHELXActa Crystallographica Section A: Foundations and Advances200873.6K
Electric field effect in atomically thin carbon filmsScience200445.3K
Density-functional exchange-energy approximation with correct asymptotic behaviorPhysical Review A198841.1K
Comparison of simple potential functions for simulating liquid waterJournal of Chemical Physics198327.1K
UCSF Chimera—A visualization system for exploratory research and analysisJournal of Computational Chemistry200425.7K
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogenJournal of Chemical Physics198923.9K
The Protein Data BankNucleic Acids Research200023.1K
Crystal structure refinement with SHELXLActa Crystallographica Section C, Structural Chemistry201519.6K
A simple method for displaying the hydropathic character of a proteinJournal of Molecular Biology198219.4K
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionalsTheoretical Chemistry Accounts200818.5K
THE ATTRACTIONS OF PROTEINS FOR SMALL MOLECULES AND IONSAnnals of the New York Academy of Sciences194918K
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errorsMolecular Physics197017.9K
General atomic and molecular electronic structure systemJournal of Computational Chemistry199316.9K
Features and development of CootActa Crystallographica Section D: Biological Crystallography201016.1K
Issues and challenges facing rechargeable lithium batteriesNature200114.7K
OLEX2: a complete structure solution, refinement and analysis programJournal of Applied Crystallography200914.6K
A smooth particle mesh Ewald methodJournal of Chemical Physics199514.2K
WinGXsuite for small-molecule single-crystal crystallographyJournal of Applied Crystallography199913.9K
ORTEP-3 for Windows - a version ofORTEP-III with a Graphical User Interface (GUI)Journal of Applied Crystallography199713.3K
CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry198312.8K
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materialsJournal of Physics Condensed Matter200912.7K
Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functionsJournal of Chemical Physics198012.5K
Refinement of macromolecular structures by the maximum-likelihood methodActa Crystallographica Section D: Biological Crystallography199712.4K