Explicitly correlated coupled cluster benchmarks with realistic-sized ligands for some late-transition metal reactions: basis sets convergence and performance of more approximate methods

Author： Kesharwani Manoj   Martin Jan  

Publisher： Springer Publishing Company

ISSN： 1432-881X

Source： Theoretical Chemistry Accounts, Vol.133, Iss.3, 2014-03, pp. : 1-14

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Related content

Accurate atomization energies from combining coupled-cluster computations with interference-corrected explicitly correlated second-order perturbation theory

By Vogiatzis Konstantinos   Haunschild Robin   Klopper Wim  

Theoretical Chemistry Accounts, Vol. 133, Iss. 3, 2014-03 ,pp. : 1-12

Springer Publishing Company

Access to resources Recommend Favorite

Chromatographic and related electrophoretic methods in the separation of transition metal complexes or their ligands

By Shepherd R.E.  

Coordination Chemistry Reviews, Vol. 247, Iss. 1, 2003-12 ,pp. : 159-196

Elsevier

Access to resources Recommend Favorite

Calculation of exchange coupling constants in solid state transition metal compounds using localized atomic orbital basis sets

By Ruiz E.   Llunell M.   Alemany P.  

Journal of Solid State Chemistry, Vol. 176, Iss. 2, 2003-12 ,pp. : 400-411

Elsevier

Access to resources Recommend Favorite

Reactions of divalent transition metal halides with 3,5-dimethyl-1-(hydroxymethyl)-pyrazole: Part 23. Transition metal complexes with pyrazole-based ligands

By Leovac V.   Petković R.   Kovács A.   Pokol G.   Szécsényi Katalin  

Journal of Thermal Analysis and Calorimetry, Vol. 89, Iss. 1, 2007-07 ,pp. : 267-275

Springer Publishing Company

Access to resources Recommend Favorite

Synthesis, structural characterization, and reactivity of late transition-metal complexes bearing linked cyclopentadienyl–carboranyl ligands

By Liu Dongmei   Qiu Zaozao   Chan Hoi-Shan   Xie Zuowei  

Canadian Journal of Chemistry, Vol. 90, Iss. 1, 2012-01 ,pp. : 108-117

NRC Research Press

Access to resources Recommend Favorite