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Published in 2020 at "New Journal of Chemistry"
DOI: 10.1039/d0nj05326k
Abstract: A computational investigation of the isoelectronic ArR+ (R = CH3, NH2, OH, F) species has been performed. The ground states of all four complexes are determined to be the lowest singlet isomers. A range of…
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Keywords:
ch3 nh2;
chemistry;
electron sharing;
arr ch3 ... See more keywords
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Published in 2018 at "Molecular Physics"
DOI: 10.1080/00268976.2018.1542166
Abstract: ABSTRACT Quantum chemical calculations using density functional theory BP86 and M06-2X functionals in conjunction with def2-TZVPP basis sets have been carried out on the title molecules. The calculation results reveal that the N-imides R3NNX are…
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Keywords:
phosphane imides;
energy;
bond;
electron sharing ... See more keywords