It’s Complicated: On Relativistic Effects and Periodic Trends in the Melting and Boiling Points of the Group 11 Coinage Metals

Author(s):  
Sarah Löffelsender ◽  
Peter Schwerdtfeger ◽  
Stefan Grimme ◽  
Jan-Michael Mewes
2012 ◽  
Vol 3 (1) ◽  
pp. 1-19
Author(s):  
Giacaglia Giorgio Eugenio Oscare ◽  

1961 ◽  
Vol 75 (9) ◽  
pp. 3-59 ◽  
Author(s):  
N.G. Basov ◽  
Oleg N. Krokhin ◽  
A.N. Oraevskii ◽  
G.M. Strakhovskii ◽  
B.M. Chikhachev

2004 ◽  
Vol 174 (8) ◽  
pp. 861 ◽  
Author(s):  
Andrei I. Musienko ◽  
Leonid I. Manevich
Keyword(s):  

2020 ◽  
Author(s):  
Peter Kraus ◽  
Daniel A. Obenchain ◽  
Sven Herbers ◽  
Dennis Wachsmuth ◽  
Irmgard Frank ◽  
...  

<div>The Xe···OCS complex is studied using microwave spectroscopy. Nine isotopologues are measured, and a mass-dependent rm(2) structure is presented. The experiments are supported with a wide array of calculations, including CCSD(T), SAPT, as well as double-hybrid DFT. Trends in the structures of six Rg···OCS complexes (He, Ne, Ar, Kr, Xe, and Hg) are investigated, with particular attention to the deformation of the OCS monomer and relativistic effects. The experimental near-equilibrium structure of Xe···OCS can be predicted to within 11 milliangstrom in the Xe···C distance by correlated wavefunction theory.<br></div>


2020 ◽  
Author(s):  
Peter Kraus ◽  
Daniel A. Obenchain ◽  
Sven Herbers ◽  
Dennis Wachsmuth ◽  
Irmgard Frank ◽  
...  

<div>The Xe···OCS complex is studied using microwave spectroscopy. Nine isotopologues are measured, and a mass-dependent rm(2) structure is presented. The experiments are supported with a wide array of calculations, including CCSD(T), SAPT, as well as double-hybrid DFT. Trends in the structures of six Rg···OCS complexes (He, Ne, Ar, Kr, Xe, and Hg) are investigated, with particular attention to the deformation of the OCS monomer and relativistic effects. The experimental near-equilibrium structure of Xe···OCS can be predicted to within 11 milliangstrom in the Xe···C distance by correlated wavefunction theory.<br></div>


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