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Ab Initio Studies of Lithium Bonded Complexes with H$_2$O Molecule
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  • Ab Initio Studies of Lithium Bonded Complexes with H$_2$O Molecule
  • Ab Initio Studies of Lithium Bonded Complexes with H$_2$O Molecule
저자명
Baik. Dae-Hyun,Jhon. Mu-Shik
간행물명
Bulletin of the Korean Chemical Society
권/호정보
1988년|9권 3호|pp.126-129 (4 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

Lithium bonded complexes with $H_2O$ molecule were investigated theoretically by varying the substituent of lithium compound as follows; LiH, LiLi, $LiCH_3,;LiNH_2$, LiOH, LiF, and LiCl. Some hydrogen bonded complexes with $H_2O$ molecule were also investigated to be compared with lithium bonded analogues. Electron correlation effect on the structures and energies of lithium bond was also investigated through MP2 and MP4 corrections. Unlike hydrogen bond with $H_2O$ molecule, lithium bonded complexes with $H_2O$ molecule were found to be interacting linearly with $H_2O$ molecule. Electron correlation effect was very small for lithium bonded complexes. The lithium bond energies were found to be less affected by the choice of substituent of lithium compound.