Spin-extended Hartree-Fock ab initio calculations for small radicals

By Klimo Viliam   Tińo Jozef  

Molecular Physics, Vol. 35, Iss. 6, 1978-06 ,pp. : 1777-1783

Taylor & Francis Ltd

Access to resources Recommend Favorite

Spin projected and improved energy states from unrestricted Hartree-Fock

By Theophilou Iris   Thanos S.  

Molecular Physics, Vol. 109, Iss. 11, 2011-06 ,pp. : 1495-1502

Taylor & Francis Ltd

Access to resources Recommend Favorite

Uncoupled Hartree-Fock calculations of the 13 C shielding by means of ab initio and NEMO-wavefunctions

By Birnstock F.  

Molecular Physics, Vol. 26, Iss. 2, 1973-08 ,pp. : 343-347

Taylor & Francis Ltd

Access to resources Recommend Favorite

Molecular structure and vibrational spectra of [2-Oxo-2-(4-acetyl) phenyl amino] ethylene methacrylate by density functional theory and ab initio Hartree–Fock calculations

By Yakuphanoglu F.   Atalay Y.   Erol I.  

Molecular Physics, Vol. 103, Iss. 24, 2005-12 ,pp. : 3309-3314

Taylor & Francis Ltd

Access to resources Recommend Favorite

Unrestricted Hartree-Fock spin density calculations on sulphur-containing radicals: Role of d -orbitals in the &pgr;-electron treatment

By Nanda D.N.   Narasimhan P.T.  

Molecular Physics, Vol. 24, Iss. 6, 1972-12 ,pp. : 1341-1352

Taylor & Francis Ltd

Access to resources Recommend Favorite