MP2 calculation of 77Se NMR chemical shifts taking into account relativistic corrections

Publisher： John Wiley & Sons Inc

E-ISSN： 1097-458x|53|7|485-492

ISSN： 0749-1581

Source： MAGNETIC RESONANCE IN CHEMISTRY, Vol.53, Iss.7, 2015-07, pp. : 485-492

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

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

By  

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

By  

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

John Wiley & Sons Inc

Access to resources Recommend Favorite

Exploiting the phase of NMR signals to carry useful information. Application to the measurement of chemical shifts in aliased 2D spectra

By  

MAGNETIC RESONANCE IN CHEMISTRY, Vol. 53, Iss. 11, 2015-11 ,pp. : 901-907

John Wiley & Sons Inc

Access to resources Recommend Favorite

Determining the Ligand Properties of N‐Heterocyclic Carbenes from 77Se NMR Parameters

By  

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (ELECTRONIC), Vol. 2015, Iss. 14, 2015-05 ,pp. : 2416-2425

John Wiley & Sons Inc

Access to resources Recommend Favorite

Comparison of the substituent effects on the 13C NMR with the 1H NMR chemical shifts of CHN in substituted benzylideneanilines

By  

MAGNETIC RESONANCE IN CHEMISTRY, Vol. 53, Iss. 7, 2015-07 ,pp. : 520-525

John Wiley & Sons Inc

Access to resources Recommend Favorite