About: A theoretical study on the coordination behavior of some phosphoryl, carbonyl and sulfoxide derivatives in lanthanide complexation

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scientific article published on 29 October 2018

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) im Oktober 2018 veröffentlichter wissenschaftlicher Artikel (de) artículu científicu espublizáu n'ochobre de 2018 (ast) наукова стаття, опублікована в жовтні 2018 (uk) scientific article published on 29 October 2018 (en)
publication date	wds:Q58104579-F0279AA1-D488-47E1-933C-4BA406C55F26
publication date	2018-10-29 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q58104579-827EED25-CDBC-4463-8A86-A2786BA81874
language of work or name	English
cites work	wds:Q58104579-07A3D84F-A283-4F59-896F-C6F694D19606 wds:Q58104579-37642618-26CC-4E09-84B0-8389C9E1A412 wds:Q58104579-47C1AF3A-A9BD-4D45-A72B-AA17B787BC33 wds:Q58104579-6F006A5D-B595-4236-AE7B-EAB4B6F3DEEE wds:Q58104579-7453F6E1-EE10-421F-9480-79CAD70DC86F wds:Q58104579-7A45C20C-6922-4E1A-A3CD-AE0FD2BFB8BB wds:Q58104579-957C9023-E2B2-455C-82E7-28B1116956C9 wds:Q58104579-9D13F4CE-09CB-433F-A6E9-ACF38EAEA130 wds:Q58104579-B0A3E4CE-B897-41C8-A8DA-4605E4584ED5 wds:Q58104579-D4481925-E6D2-42FB-BDAC-48213FD7B77E wds:Q58104579-D782DD9D-9080-4198-8FA1-53604E21CA77 wds:Q58104579-DB6C6BA1-C0AF-4786-86DF-AA3BF09E8864 wds:Q58104579-E0FDBA47-66F4-41E7-8DE1-1BC228F301A8 wds:Q58104579-F79DE4D2-DF64-4833-9576-76E34A923264
cites work	Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density No d Orbitals but Walsh Diagrams and Maybe Banana Bonds: Chemical Bonding in Phosphines, Phosphine Oxides, and Phosphonium Ylides Effects of basis set superposition error on optimized geometries and complexation energies of organo-alkali metal cation complexes Density functional theory investigations of the trivalent lanthanide and actinide extraction complexes with diglycolamides. Carbamoylphosphine oxide complexes of trivalent lanthanide cations: role of counterions, ligand binding mode, and protonation investigated by quantum mechanical calculations Description of Electron Delocalization via the Analysis of Molecular Fields Polymer-based lanthanide luminescent sensor for detection of the hydrolysis product of the nerve agent Soman in water Ellipticity: a convenient tool to characterize electrocyclic reactions Toward a clear-cut vision on the origin of 2,6-di(1,2,4-triazin-3-yl)pyridine selectivity for trivalent actinides: insights from theory Interaction of M(3+) Lanthanide Cations with Amide, Pyridine, and Phosphoryl O=PPh(3) Ligands: A Quantum Mechanics Study The energetic and structural effects of steric crowding in phosphate and dithiophosphinate complexes of lanthanide cations M3+: a computational study Selective americium(III) complexation by dithiophosphinates: a density functional theoretical validation for covalent interactions responsible for unusual separation behavior from trivalent lanthanides In the pursuit for better actinide ligands: an efficient strategy for their discovery An Atoms in Molecules Study of the Halogen Resonance Effect
author name string	wds:Q58104579-C61EFF09-040C-4859-AB27-447EC9BD2CA9
author name string	Ehsan Masumian
rdfs:label	A theoretical study on the coordination behavior of some phosphoryl, carbonyl and sulfoxide derivatives in lanthanide complexation (en) A theoretical study on the coordination behavior of some phosphoryl, carbonyl and sulfoxide derivatives in lanthanide complexation (nl)
skos:prefLabel	A theoretical study on the coordination behavior of some phosphoryl, carbonyl and sulfoxide derivatives in lanthanide complexation (en) A theoretical study on the coordination behavior of some phosphoryl, carbonyl and sulfoxide derivatives in lanthanide complexation (nl)
name	A theoretical study on the coordination behavior of some phosphoryl, carbonyl and sulfoxide derivatives in lanthanide complexation (en) A theoretical study on the coordination behavior of some phosphoryl, carbonyl and sulfoxide derivatives in lanthanide complexation (nl)
author	wds:Q58104579-116EA620-0A4D-4798-9701-EEF8958BCA57 wds:Q58104579-A58B7E9E-2C2C-4DB2-A3D6-D01A6C71B201 wds:Q58104579-B88D91AD-73D7-419C-84D1-D192595E27FE wds:Q58104579-E691E930-885C-45DF-8E0D-86B7A1460158
author	Khodayar Gholivand Mahdieh Hosseini Mohammad Kahnouji Yazdan Maghsoud
title	wds:Q58104579-4524E659-610C-4E46-9876-F3705CCD3C33
title	A theoretical study on the coordination behavior of some phosphoryl, carbonyl and sulfoxide derivatives in lanthanide complexation (en)
page(s)	wds:Q58104579-E6B77988-9E2A-4361-A8FB-44933E958B66
page(s)	328
instance of	wds:Q58104579-6EF846EF-78AB-4A86-9100-F5CCC8A7A025
instance of	scholarly article
PubMed ID	wds:Q58104579-8FCBD967-48CF-4C47-B103-DADD522F951F
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/30374628
PubMed ID	30374628
published in	wds:Q58104579-18EBD61C-6102-4ACC-8CB2-AEE7BDB43E50
published in	Journal of Molecular Modeling
issue	wds:Q58104579-D2A013A8-C043-4722-9C84-9A75C874EDA8
volume	wds:Q58104579-4EC1C593-FCA1-4F5D-97B6-72EBC3EB5983
issue	11
volume	24
DOI	wds:Q58104579-83F991AB-7C27-432F-8533-EE8924FBAD3F
DOI	http://dx.doi.org/10.1007/S00894-018-3865-7
DOI	10.1007/S00894-018-3865-7
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q58104579

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