DFT calculations on the electronic structure of CuTe 2 and Cu 7 Te 4

By Matar S.F.   Weihrich R.   Kurowski D.   Pfitzner A.  

Solid State Sciences, Vol. 6, Iss. 1, 2004-01 ,pp. : 15-20

Elsevier

Access to resources Recommend Favorite

An approach to the interpretation of the vibrational spectra of 2'-deoxyinosine by means of DFT calculations

By de la Fuente M.   Navarro R.  

Journal of Molecular Structure, Vol. 687, Iss. 1, 2004-01 ,pp. : 7-15

Elsevier

Access to resources Recommend Favorite

Comparison of Theoretical Methods and Basis Sets for ab initio and DFT Calculations of the Structure and Frequencies of Normal Vibrations of Polyatomic Molecules

By Berezin K. V.   Nechaev V. V.  

Journal of Applied Spectroscopy, Vol. 71, Iss. 2, 2004-03 ,pp. : 164-172

Springer Publishing Company

Access to resources Recommend Favorite

Structure of Modified Polytetrafluoroethylene According to DFT Calculations and ¹⁹F NMR Spectroscopy

By Buznik V. M.   Gabuda S. P.   Kozlova S. G.   Tsvetnikov A. K.  

Journal of Structural Chemistry, Vol. 44, Iss. 6, 2003-11 ,pp. : 1067-1070

Springer Publishing Company

Access to resources Recommend Favorite

Electronic and Steric Structure of ClAsX₂ Molecules: Evaluation by ³⁵Cl NQR and Quantum-Chemical Calculations

By Feshin V.   Feshina E.   Zhizhina L.  

Russian Journal of General Chemistry, Vol. 75, Iss. 8, 2005-08 ,pp. : 1216-1220

MAIK Nauka/Interperiodica

Access to resources Recommend Favorite