Entries of Neese, Frank on the publication server
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Number of items: 3.
2018
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.
, 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.
2017
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.
, 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.
2016
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.
, 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.