COSMO-RS prediction, liquid-liquid equilibrium experiment and quantum chemistry calculation for the separation of n-butanol and n-heptane system using ionic liquids

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

Natural Sciences, Biophysics, Physics +12

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations

Natural Sciences, Chemistry, Visualization +15

Revealing Noncovalent Interactions

Erin R. Johnson, Shahar Keinan, Paula Mori‐Sánchez et al. · Journal of the American Chemical Society · 2010 · 9.3K citations

Natural Sciences, Chemistry, Medicinal Chemistry +17

Hydrophobic, Highly Conductive Ambient-Temperature Molten Salts

Pierre Bonhôte, Ana-Paula Dias, N. Papageorgiou et al. · Inorganic Chemistry · 1996 · 4.3K citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities

Enrique Espinosa, Elı́es Molins, Claude Lecomte · Chemical Physics Letters · 1998 · 3.5K citations

Natural Sciences, Chemistry, Physics +16