caa a22 4500 445865296 CHVBK 20180317145456.0 cr unu---uuuuu 170323e20111001xx s 000 0 eng 10.1140/epjd/e2011-20124-2 doi (NATIONALLICENCE)springer-10.1140/epjd/e2011-20124-2 Nature of M-Ng interaction in the MNg 4 2+ (M [Elektronische Daten] Cu, Ag and Au; Ng = He and Ne) molecules: abinitio calculations [X. Li, X. Cao] Quantum chemical calculations of the structure and stability of MNg 4 2+ (M = Cu, Ag and Au; Ng = He and Ne) series at the CCSD(T) theoretical level are performed. The interaction mechanism is investigated using the natural bond orbital (NBO) and electron density analyses. The analyses of the electron density show the weak electrostatic interaction in the system. EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg, 2011 Li X. Institute for Computational Materials Science, School of Physics and Electronics, Henan University, 475004, Kaifeng, P.R. China aut Cao X. Institute for Computational Materials Science, School of Physics and Electronics, Henan University, 475004, Kaifeng, P.R. China aut The European Physical Journal D Springer-Verlag 64/2-3(2011-10-01), 221-225 1434-6060 64:2-3<221 2011 64 10053 https://doi.org/10.1140/epjd/e2011-20124-2 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1140/epjd/e2011-20124-2 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Li X. Institute for Computational Materials Science, School of Physics and Electronics, Henan University, 475004, Kaifeng, P.R. China aut NATIONALLICENCE 700 1- Cao X. Institute for Computational Materials Science, School of Physics and Electronics, Henan University, 475004, Kaifeng, P.R. China aut NATIONALLICENCE 773 0- The European Physical Journal D Springer-Verlag 64/2-3(2011-10-01), 221-225 1434-6060 64:2-3<221 2011 64 10053 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer