Quantum chemistry and density functional calculations of formyl chloride

By Bent Gary   Rasamny Marwan   Hall Theodore  

Molecular Physics, Vol. 82, Iss. 4, 1994-07 ,pp. : 825-829

Taylor & Francis Ltd

Access to resources Recommend Favorite

Electrons in dry DNA from density functional calculations

By Artacho Emilio   Machado Maider   Sánchez-Portal Daniel   Ordejón Pablo   Soler José M.  

Molecular Physics, Vol. 101, Iss. 11, 2003-01 ,pp. : 1587-1594

Taylor & Francis Ltd

Access to resources Recommend Favorite

Strained graphene: tight-binding and density functional calculations

By  

New Journal of Physics, Vol. 11, Iss. 11, 2009-11 ,pp. : 791-801

IOP Publishing

Access to resources Recommend Favorite

Bond functions in SCF calculations on molecules containing second-row atoms

By Burton P.G.   Carlsen N.R.   Magnusson E.A.  

Molecular Physics, Vol. 32, Iss. 6, 1976-12 ,pp. : 1687-1694

Taylor & Francis Ltd

Access to resources Recommend Favorite

A coupled cluster treatment of intramonomer electron correlation within symmetry-adapted perturbation theory: benchmark calculations and a comparison with a density-functional theory description

By Korona Tatiana  

Molecular Physics, Vol. 111, Iss. 24, 2013-12 ,pp. : 3705-3715

Taylor & Francis Ltd

Access to resources Recommend Favorite