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 functionals | Theoretical Chemistry Accounts | 2008 | 19.1K |
Self-interaction correction to density-functional approximations for many-electron systems | Physical Review B | 1981 | 16.7K |
GROMACS: fast, flexible, and free | Journal of Computational Chemistry | 2005 | 10.3K |
Photocatalysis on TiO2 Surfaces: Principles, Mechanisms, and Selected Results | Chemical Reviews | 1995 | 9.8K |
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Theory of Superconductivity | Physical Review | 1957 | 8.7K |
A Theory of Sensitized Luminescence in Solids | Journal of Chemical Physics | 1953 | 7.1K |
Lead iodide perovskite sensitized all-solid-state submicron thin film mesoscopic solar cell with efficiency exceeding 9% | Scientific Reports | 2012 | 5.7K |
Conversion of light to electricity by cis-X2bis(2,2'-bipyridyl-4,4'-dicarboxylate)ruthenium(II) charge-transfer sensitizers (X = Cl-, Br-, I-, CN-, and SCN-) on nanocrystalline titanium dioxide electrodes | Journal of the American Chemical Society | 1993 | 5.4K |
Coherence in Spontaneous Radiation Processes | Physical Review | 1954 | 5K |
The green fluorescent protein | Annual Review of Biochemistry | 1998 | 4.9K |
New Developments in Molecular Orbital Theory | Reviews of Modern Physics | 1951 | 4.5K |
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 |
Luminescent metal-organic frameworks | Chemical Society Reviews | 2009 | 4.2K |
Ru(II) polypyridine complexes: photophysics, photochemistry, eletrochemistry, and chemiluminescence | Coordination Chemistry Reviews | 1988 | 4.1K |
Electron–electron and electron‐hole interactions in small semiconductor crystallites: The size dependence of the lowest excited electronic state | Journal of Chemical Physics | 1984 | 3.9K |
Hydrophobic, Highly Conductive Ambient-Temperature Molten Salts | Inorganic Chemistry | 1996 | 3.9K |
BODIPY dyes and their derivatives: syntheses and spectroscopic properties | Chemical Reviews | 2007 | 3.8K |
Heterogeneous photocatalysis | Chemical Reviews | 1993 | 3.7K |
Photoinduced electron transfer from a conducting polymer to buckminsterfullerene | Science | 1992 | 3.7K |
Dye-sensitized solar cells | Journal of Photochemistry and Photobiology C: Photochemistry Reviews | 2003 | 3.6K |
Fault-tolerant quantum computation by anyons | Annals of Physics | 2003 | 3.5K |
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations | Computer Physics Communications | 2010 | 3.4K |
Kinetics of Fluorescence Quenching by Electron and H-Atom Transfer | Israel Journal of Chemistry | 1970 | 3.3K |