Inelastic neutron scattering and periodic DFT studies of crystalline aromatic materials: Biphenylene – A Mills–Nixon molecule

Inelastic Neutron ◽

Dft Studies ◽

Inelastic Neutron Scattering and Raman Spectroscopies and Periodic DFT Studies of Rb2PtH6 and Rb2PtD6.

ChemInform ◽

10.1002/chin.200352016 ◽

2003 ◽

Vol 34 (52) ◽

Author(s):

Stewart F. Parker ◽

Stephen M. Bennington ◽

Anibal. J. Ramirez-Cuesta ◽

Gudrun Auffermann ◽

Welf Bronger ◽

...

Keyword(s):

Neutron Scattering ◽

Inelastic Neutron ◽

Dft Studies ◽

Inelastic Neutron Scattering and Raman Spectroscopies and Periodic DFT Studies of Rb2PtH6and Rb2PtD6

Journal of the American Chemical Society ◽

10.1021/ja034323h ◽

2003 ◽

Vol 125 (38) ◽

pp. 11656-11661 ◽

Cited By ~ 33

Author(s):

Stewart F. Parker ◽

Stephen M. Bennington ◽

Anibal. J. Ramirez-Cuesta ◽

Gudrun Auffermann ◽

Welf Bronger ◽

...

Keyword(s):

Neutron Scattering ◽

Inelastic Neutron ◽

Dft Studies ◽

Inelastic neutron scattering and periodic DFT studies of crystalline aromatic materials: Azulene. A test of ab initio methods

Chemical Physics Letters ◽

10.1016/j.cplett.2007.01.088 ◽

2007 ◽

Vol 437 (1-3) ◽

pp. 38-44 ◽

Cited By ~ 2

Author(s):

Nina Verdal ◽

Sharon A. Rivera ◽

Bruce S. Hudson

Keyword(s):

Neutron Scattering ◽

Ab Initio ◽

Inelastic Neutron ◽

Ab Initio Methods ◽

Dft Studies ◽

The Inelastic Neutron Scattering Spectrum of H3B:NH3and the Reproduction of Its Solid-State Features by Periodic DFT

Journal of the American Chemical Society ◽

10.1021/ja048215m ◽

2004 ◽

Vol 126 (25) ◽

pp. 7756-7757 ◽

Cited By ~ 33

Author(s):

Damian G. Allis ◽

Mark E. Kosmowski ◽

Bruce S. Hudson

Keyword(s):

Solid State ◽

Neutron Scattering ◽

Inelastic Neutron ◽

Scattering Spectrum ◽

Complete assignment of the vibrational modes of C60 by inelastic neutron scattering spectroscopy and periodic-DFT

Physical Chemistry Chemical Physics ◽

10.1039/c0cp02956d ◽

2011 ◽

Vol 13 (17) ◽

pp. 7789 ◽

Cited By ~ 26

Author(s):

Stewart F. Parker ◽

Stephen M. Bennington ◽

Jon W. Taylor ◽

Henryk Herman ◽

Ian Silverwood ◽

...

Keyword(s):

Neutron Scattering ◽

Inelastic Neutron ◽

Vibrational Modes ◽

Complete Assignment ◽

Inelastic Neutron Scattering Spectroscopy ◽

Inelastic neutron scattering, Raman spectroscopy and periodic DFT study of purine

Vibrational Spectroscopy ◽

10.1016/j.vibspec.2004.01.003 ◽

2004 ◽

Vol 35 (1-2) ◽

pp. 173-177 ◽

Cited By ~ 12

Author(s):

Stewart F Parker ◽

Richard Jeans ◽

Robin Devonshire

Keyword(s):

Raman Spectroscopy ◽

Neutron Scattering ◽

Inelastic Neutron ◽

Dft Study ◽

Understanding magnetic interactions in the seriesA2FeX5⋅H2O(A=K, Rb;X=Cl, Br). II. Inelastic neutron scattering and DFT studies

Physical Review B ◽

10.1103/physrevb.78.054415 ◽

2008 ◽

Vol 78 (5) ◽

Cited By ~ 18

Author(s):

Javier Campo ◽

Javier Luzón ◽

Fernando Palacio ◽

Garry J. McIntyre ◽

Angel Millán ◽

...

Keyword(s):

Neutron Scattering ◽

Inelastic Neutron ◽

Magnetic Interactions ◽

Dft Studies

Molecular and Vibrational Dynamics in the Cholesterol-Lowering Agent Lovastatin: Solid-State NMR, Inelastic Neutron Scattering, and Periodic DFT Study

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.7b01090 ◽

2017 ◽

Vol 121 (13) ◽

pp. 2776-2787 ◽

Cited By ~ 8

Author(s):

Paweł Bilski ◽

Kacper Drużbicki ◽

Jacek Jenczyk ◽

Jadwiga Mielcarek ◽

Jan Wąsicki

Keyword(s):

Solid State ◽

Neutron Scattering ◽

Solid State Nmr ◽

Inelastic Neutron ◽

Dft Study ◽

Vibrational Dynamics ◽

Cholesterol Lowering ◽

Inelastic Neutron Scattering Spectrum of Cs2[B12H12]: Reproduction of Its Solid-State Vibrational Spectrum by Periodic DFT.

ChemInform ◽

10.1002/chin.200620010 ◽

2006 ◽

Vol 37 (20) ◽

Author(s):

Damian G. Allis ◽

Bruce S. Hudson

Keyword(s):

Solid State ◽

Vibrational Spectrum ◽

Neutron Scattering ◽

Inelastic Neutron ◽

Scattering Spectrum ◽

C6F6and sym-C6F3H3: Ab Initio and DFT Studies of Structure, Vibrations, and Inelastic Neutron Scattering Spectra

The Journal of Physical Chemistry A ◽

10.1021/jp992580w ◽

2000 ◽

Vol 104 (5) ◽

pp. 982-989 ◽

Cited By ~ 10

Author(s):

Dale A. Braden ◽

Bruce S. Hudson

Keyword(s):

Neutron Scattering ◽

Ab Initio ◽

Inelastic Neutron ◽

Dft Studies ◽

Scattering Spectra ◽

Ab Initio And Dft