Global and local approaches to population analysis: Bonding patterns in superheavy element compounds

Global and local approaches to population analysis: Bonding patterns in superheavy element compounds Chemical Physics Letters 695 (2018) 63–68 Contents lists available at ScienceDirect Chemical Physics Letters journal homepage: www.elsevier.com/locate/cplett Research paper Global and local approaches to population analysis: Bonding patterns in superheavy element compounds a,b,⇑ a,b c a,d Alexander Oleynichenko , Andréi Zaitsevskii , Stepan Romanov , Leonid V. Skripnikov , a,d Anatoly V. Titov National Research Centre ‘‘Kurchatov Institute”, B.P. Konstantinov Petersburg Nuclear Physics Institute, Gatchina, Leningrad District 188300, Russia Department of Chemistry, M. V. Lomonosov Moscow State University, 119991 Moscow, Russia Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Building 3, Nobelya st., Moscow 143026, Russia Department of Physics, St. Petersburg State University, 199034 St. Petersburg, Russia article i nfo abstract Article history: Relativistic effective atomic configurations of superheavy elements Cn, Nh and Fl and their lighter homo- Received 4 November 2017 logues (Hg, Tl and Pb) in their simple compounds with fluorine and oxygen are determined using the In final form 30 January 2018 analysis of local properties of molecular Kohn-Sham density matrices in the vicinity of heavy nuclei. Available online 1 February 2018 The difference in populations of atomic spinors with the same orbital angular momentum and different total angular momenta is demonstrated to be essential http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Chemical Physics Letters Elsevier

Global and local approaches to population analysis: Bonding patterns in superheavy element compounds

Loading next page...
 
/lp/elsevier/global-and-local-approaches-to-population-analysis-bonding-patterns-in-leA0Lz2000
Publisher
Elsevier
Copyright
Copyright © 2018 Elsevier B.V.
ISSN
0009-2614
eISSN
1873-4448
D.O.I.
10.1016/j.cplett.2018.01.058
Publisher site
See Article on Publisher Site

Abstract

Chemical Physics Letters 695 (2018) 63–68 Contents lists available at ScienceDirect Chemical Physics Letters journal homepage: www.elsevier.com/locate/cplett Research paper Global and local approaches to population analysis: Bonding patterns in superheavy element compounds a,b,⇑ a,b c a,d Alexander Oleynichenko , Andréi Zaitsevskii , Stepan Romanov , Leonid V. Skripnikov , a,d Anatoly V. Titov National Research Centre ‘‘Kurchatov Institute”, B.P. Konstantinov Petersburg Nuclear Physics Institute, Gatchina, Leningrad District 188300, Russia Department of Chemistry, M. V. Lomonosov Moscow State University, 119991 Moscow, Russia Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Building 3, Nobelya st., Moscow 143026, Russia Department of Physics, St. Petersburg State University, 199034 St. Petersburg, Russia article i nfo abstract Article history: Relativistic effective atomic configurations of superheavy elements Cn, Nh and Fl and their lighter homo- Received 4 November 2017 logues (Hg, Tl and Pb) in their simple compounds with fluorine and oxygen are determined using the In final form 30 January 2018 analysis of local properties of molecular Kohn-Sham density matrices in the vicinity of heavy nuclei. Available online 1 February 2018 The difference in populations of atomic spinors with the same orbital angular momentum and different total angular momenta is demonstrated to be essential

Journal

Chemical Physics LettersElsevier

Published: Mar 1, 2018

References

You’re reading a free preview. Subscribe to read the entire article.


DeepDyve is your
personal research library

It’s your single place to instantly
discover and read the research
that matters to you.

Enjoy affordable access to
over 18 million articles from more than
15,000 peer-reviewed journals.

All for just $49/month

Explore the DeepDyve Library

Search

Query the DeepDyve database, plus search all of PubMed and Google Scholar seamlessly

Organize

Save any article or search result from DeepDyve, PubMed, and Google Scholar... all in one place.

Access

Get unlimited, online access to over 18 million full-text articles from more than 15,000 scientific journals.

Your journals are on DeepDyve

Read from thousands of the leading scholarly journals from SpringerNature, Elsevier, Wiley-Blackwell, Oxford University Press and more.

All the latest content is available, no embargo periods.

See the journals in your area

DeepDyve

Freelancer

DeepDyve

Pro

Price

FREE

$49/month
$360/year

Save searches from
Google Scholar,
PubMed

Create lists to
organize your research

Export lists, citations

Read DeepDyve articles

Abstract access only

Unlimited access to over
18 million full-text articles

Print

20 pages / month

PDF Discount

20% off