Theoretical study of the interaction of molecular oxygen with a reduced TiO2 surface

Electrochemical Photolysis of Water at a Semiconductor Electrode

Akira Fujishima, Kenichi Honda · Nature · 1972 · 33.7K citations

Natural Sciences, Chemical Engineering, Chemistry +14

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 13.7K citations

Natural Sciences, Chemistry, Physics +16

Algorithm 778: L-BFGS-B

Ciyou Zhu, Richard H. Byrd, Peihuang Lu et al. · ACM Transactions on Mathematical Software · 1997 · 3.4K citations · Full text

Computing, Computer Science, Algorithms +13

The surface science of metal oxides

Materials Characterization · 1995 · 2.4K citations

Natural Sciences, Chemistry, Materials Science +14

Structural-electronic relationships in inorganic solids: powder neutron diffraction studies of the rutile and anatase polymorphs of titanium dioxide at 15 and 295 K

Jeremy K. Burdett, Timothy Hughbanks, Gordon J. Miller et al. · Journal of the American Chemical Society · 1987 · 1.2K citations

Natural Sciences, Chemistry, Materials Science +17