Indirect Nuclear ⁷⁷Se–⁷⁷Se Spin–Spin Coupling Constants. Application of Density Functional Theory (DFT) Calculations

ISSN： 1040-0400

Source： Structural Chemistry, Vol.16, Iss.1, 2005-02, pp. : 67-71

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

Abstract

Related content

Relativistic theory of indirect nuclear spin-spin coupling

By Ebert H.

Philosophical Magazine, Vol. 88, Iss. 18-20, 2008-06 ,pp. : 2673-2681

Taylor & Francis Ltd

Access to resources Recommend Favorite

Stereochemical behavior of geminal and vicinal 77Se–13C spin–spin coupling constants studied at the SOPPA(CC2) level taking into account relativistic corrections

MAGNETIC RESONANCE IN CHEMISTRY, Vol. 53, Iss. 2, 2015-02 ,pp. : 93-98

John Wiley & Sons Inc

Access to resources Recommend Favorite

Four‐component relativistic DFT calculations of 77Se NMR chemical shifts: A gateway to a reliable computational scheme for the medium‐sized organoselenium molecules

JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol. 36, Iss. 23, 2015-09 ,pp. : 1756-1762

John Wiley & Sons Inc

Access to resources Recommend Favorite

The quantum chemical calculation of NMR two-bond spin-spin coupling constants in the N − ···H-OH → N-H···OH − switching

By Roohi Hossein

Structural Chemistry, Vol. 23, Iss. 3, 2012-06 ,pp. : 825-830

Springer Publishing Company

Access to resources Recommend Favorite

NMR chemical shielding and spin–spin coupling constants across hydrogen bonds in uracil–α-hydroxy-N-nitrosamine complexes

By Roohi Hossein Nokhostin Roghayeh

Structural Chemistry, Vol. 25, Iss. 2, 2014-04 ,pp. : 483-493

Springer Publishing Company

Access to resources Recommend Favorite