Ab initio SCF-LCAO-MO study of conformational stability and internal rotation in n-butane, ethyl methyl ether and ethyl methyl sulphide

By Brédas J.L.   Dufey M.   Fripiat J.G.   Andre J.M.  

Molecular Physics, Vol. 49, Iss. 6, 1983-08 ,pp. : 1451-1460

Taylor & Francis Ltd

Access to resources Recommend Favorite

An ab initio LCAO-MO-SCF study of reaction paths for proton transfer in ammonium aqueous solution

By Delpuech Jean-Jacques   Serratrice Guy   Strich Alain   Veillard Alain  

Molecular Physics, Vol. 29, Iss. 3, 1975-03 ,pp. : 849-871

Taylor & Francis Ltd

Access to resources Recommend Favorite

Methods for solving constrained SCF-LCAO-MO equations.

By Björnå Noralv  

Molecular Physics, Vol. 24, Iss. 1, 1972-07 ,pp. : 1-10

Taylor & Francis Ltd

Access to resources Recommend Favorite

An ab initio SCF MO study of conformational stability in ethyl methyl sulphide

By Ohsaku Masaru   Imamura Akira  

Molecular Physics, Vol. 55, Iss. 2, 1985-06 ,pp. : 331-339

Taylor & Francis Ltd

Access to resources Recommend Favorite

Expanded orbitals in SCF-LCAO-MO computations and reliability of virtual orbitals

By Zeeck E.  

Molecular Physics, Vol. 18, Iss. 2, 1970-02 ,pp. : 285-287

Taylor & Francis Ltd

Access to resources Recommend Favorite