Basis Functions with Polynomial Tails for Band Structure Calculations

By Tapilin V.M.  

Journal of Structural Chemistry, Vol. 42, Iss. 3, 2001-05 ,pp. : 341-346

Springer Publishing Company

Access to resources Recommend Favorite

Electronic Structure Calculation of Copper and Platinum Crystals in a Basis of Trimmed Functions

By Tapilin V.M.  

Journal of Structural Chemistry, Vol. 43, Iss. 2, 2002-03 ,pp. : 195-200

Springer Publishing Company

Access to resources Recommend Favorite

Regioselective N-arylation of nitroazoles. Determination of the structure of N-arylnitro-azoles on the basis of NMR spectroscopic data and quantum-chemical calculations

By Chertkov V.  

Chemistry of Heterocyclic Compounds, Vol. 47, Iss. 1, 2011-04 ,pp. : 45-54

Springer Publishing Company

Access to resources Recommend Favorite

LMTO Band Structure Calculations of ThCr 2 Si 2 -Type Transition Metal Compounds

By Johrendt D.   Felser C.   Jepsen O.   Andersen O.K.   Mewis A.   Rouxel J.  

Journal of Solid State Chemistry, Vol. 130, Iss. 2, 1997-05 ,pp. : 254-265

Academic Press

Access to resources Recommend Favorite

Local structure of the chemical bond in metal azides calculated in a basis set of Wannier functions

By Gordienko A.   Poplavnoi A.  

Journal of Structural Chemistry, Vol. 46, Iss. 6, 2005-11 ,pp. : 968-972

Springer Publishing Company

Access to resources Recommend Favorite