Room temperature molecular up conversion in solution

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

Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 29.2K citations · Full text

New Functionals, Complementary Functionals, Engineering +16

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

Vincenzo Barone, Maurizio Cossi · The Journal of Physical Chemistry A · 1998 · 9.7K citations

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Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model

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Engineering, Fast Multipole Method, Physics +14

NMR Chemical Shifts of Common Laboratory Solvents as Trace Impurities

Hugo E. Gottlieb, Vadim Kotlyar, Abraham Nudelman · The Journal of Organic Chemistry · 1997 · 3.6K citations

Engineering, Chemical Analysis, Magnetic Resonance +16

10th Spiers Memorial Lecture. Transfer mechanisms of electronic excitation

Th. Förster · Discussions of the Faraday Society · 1959 · 3.3K citations

Charge Excitations, Humanities, Engineering +10