ChemInform Abstract: Vibrational Spectroscopy and Periodic DFT Studies of LaMg2PdH7: A Material with Two Types of Hydride.

ChemInform ◽  
2009 ◽  
Vol 40 (21) ◽  
Author(s):  
Stewart F. Parker ◽  
Jon W. Taylor ◽  
Henryk Herman ◽  
Jean-Philippe Rapin ◽  
Nicolas Penin ◽  
...  
Keyword(s):  
Vibrational Spectroscopy ◽  
Dft Studies ◽  
Periodic Dft

Vibrational spectroscopy and periodic DFT studies of LaMg2PdH7: A material with two types of hydride

2009 ◽  
Vol 470 (1-2) ◽  
pp. 80-84 ◽  
Author(s):  
Stewart F. Parker ◽  
Jon W. Taylor ◽  
Henryk Herman ◽  
Jean-Philippe Rapin ◽  
Nicolas Penin ◽  
...  
Keyword(s):  
Vibrational Spectroscopy ◽  
Dft Studies ◽  
Periodic Dft

Synthesis, X-ray crystallography, vibrational spectroscopy, thermal and DFT studies of (E)-6-(4-methylstyryl)-4,5-dihydropyridazin-3(2H)-one

2021 ◽  
Vol 1225 ◽  
pp. 129180
Author(s):  
Said Daoui ◽  
Cemile Baydere ◽  
Feride Akman ◽  
Fouad El Kalai ◽  
Lhassane Mahi ◽  
...  
Keyword(s):  
Vibrational Spectroscopy ◽  
Dft Studies ◽  
X Ray ◽  
X Ray Crystallography

Guest Modulation of Spin-Crossover Transition Temperature in a Porous Iron(II) Metal-Organic Framework: Experimental and Periodic DFT Studies

2014 ◽  
Vol 20 (40) ◽  
pp. 12864-12873 ◽  
Author(s):  
Daniel Aravena ◽  
Zulema Arcís Castillo ◽  
M. Carmen Muñoz ◽  
Ana B. Gaspar ◽  
Ko Yoneda ◽  
...  
Keyword(s):  
Transition Temperature ◽  
Spin Crossover ◽  
Metal Organic Framework ◽  
Porous Iron ◽  
Dft Studies ◽  
Metal Organic ◽  
Crossover Transition ◽  
Periodic Dft ◽  
Organic Framework

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

ChemInform ◽  
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 Scattering ◽  
Inelastic Neutron ◽  
Dft Studies ◽  
Periodic Dft

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

2003 ◽  
Vol 125 (38) ◽  
pp. 11656-11661 ◽  
Author(s):  
Stewart F. Parker ◽  
Stephen M. Bennington ◽  
Anibal. J. Ramirez-Cuesta ◽  
Gudrun Auffermann ◽  
Welf Bronger ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Dft Studies ◽  
Periodic Dft

Periodic DFT Studies of AlPO-11:  The Role of Hydration on Structural Properties

2007 ◽  
Vol 111 (27) ◽  
pp. 9664-9670 ◽  
Author(s):  
G. Herrera-Pérez ◽  
C. M. Zicovich-Wilson ◽  
A. Ramírez-Solís
Keyword(s):  
Structural Properties ◽  
Dft Studies ◽  
Periodic Dft
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