Combined experimental and theoretical investigation of l-Histidinium trichloro zinc: a novel nonlinear optical material

Ab initio molecular orbital theory

Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations

Natural Sciences, Chemistry, Computational Chemistry +5

Hirshfeld surface analysis

Mark A. Spackman, Dylan Jayatilaka · CrystEngComm · 2008 · 7.8K citations

Natural Sciences, Chemistry, Computational Chemistry +12

A Powder Technique for the Evaluation of Nonlinear Optical Materials

S. K. Kurtz, T. T. Perry · Journal of Applied Physics · 1968 · 6.1K citations · Full text

Natural Sciences, Materials Engineering, Materials Science +16

Ab initio molecular orbital theory

Journal of Molecular Structure THEOCHEM · 1987 · 4.5K citations

Natural Sciences, Chemistry, Computational Chemistry +5

Fingerprinting intermolecular interactions in molecular crystals

Mark A. Spackman, Joshua J. McKinnon · CrystEngComm · 2002 · 4K citations

Natural Sciences, Chemistry, Visualization +17