Investigation of Dihydrogen Bonded Interaction in X3CH⋅⋅⋅HNa, X2CH2⋅⋅⋅HNa (X = F, Cl, and Br) Binary and Ternary Complexes: A DFT and DFT-D3 Approach

被引：0
作者：
Parimala devi Duraisamy
S. Prince Makarios Paul
Praveena Gopalan
R. Jeba Beula
Abiram Angamuthu
机构：
[1] Department of Physics,
[2] Karunya Institute of Technology and Sciences,undefined
[3] Department of Physics,undefined
[4] PSGR Krishnammal College for Women,undefined
来源：
Russian Journal of Physical Chemistry A | 2023年 / 97卷
关键词：
dihydrogen bond; metal hydride; DFT; MEP; QTAIM; NBO;
D O I：
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中图分类号：
学科分类号：
摘要：
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页码：3068 / 3080
页数：12
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