Entries of Neese, Frank on the publication server

Melo, Marcelo C. R., Bernardi, Rafael C., Rudack, Till, Scheurer, Maximilian, Riplinger, Christoph, Phillips, James C., Maia, Julio D. C., Rocha, Gerd B., Ribeiro, João V., Stone, John E., Neese, Frank, Schulten, Klaus and Luthey-Schulten, Zaida (2018) NAMD goes quantum: an integrative suite for hybrid simulations. Nature Methods 15 (5), pp. 351-354. Fulltext not available.

Chakraborty, Uttam , Demeshko, Serhiy, Meyer, Franc , Rebreyend, Christophe, de Bruin, Bas , Atanasov, Mihail, Neese, Frank , Mühldorf, Bernd and Wolf, Robert (2017) Electronic Structure and Magnetic Anisotropy of an Unsaturated Cyclopentadienyl Iron(I) Complex with 15 Valence Electrons. Angewandte Chemie International Edition 56 (27), pp. 7995-7999. Fulltext not available.

Ratzke, Wolfram, Schmitt, Lisa, Matsuoka, Hideto, Bannwarth, Christoph , Retegan, Marius , Bange, Sebastian, Klemm, Philippe, Neese, Frank , Grimme, Stefan, Schiemann, Olav and Lupton, John M. (2016) Effect of Conjugation Pathway in Metal-Free Room-Temperature Dual Singlet–Triplet Emitters for Organic Light-Emitting Diodes. The Journal of Physical Chemistry Letters 7 (22), pp. 4802-4808. Fulltext not available.