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نمایش تعداد 1-9 از 9

Ab initio and atoms in molecules analyses of halogen bonding with a continuum of strength

نوع: Journal Paper

نویسنده : Yun-Xiang Lu; Jian-Wei Zou; Yan-Hua Wang; Qing-Sen Yu

ناشر: Elsevier Science

سال: 2006

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Halogen Bonding: An AIM Analysis of the Weak Interactions

نوع: Journal Paper

نویسنده : Jian-Wei Zou; Yun-Xiang Lu; Qing-Sen Yu; Hua-Xin Zhang; Yong-Jun Jiang

ناشر: John Wiley and Sons

سال: 2006

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DFT model investigations on copper(II) chloride complexes: Halogen bonding of pyridyl bromine of CuCl2(NH3)(NC5H4Br-3) with several metal ligands

نوع: Journal Paper

نویسنده : Lin Xu; Jing Lv; Peng Sang; Jian-Wei Zou; Qing-Sen Yu

ناشر: Elsevier Science

سال: 2010

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Evaluation of nucleotide C–Br⋯O–P contacts from ONIOM calculations: Theoretical insight into halogen bonding in nucleic acids

نوع: Journal Paper

نویسنده : Lin Xu; Peng Sang; Jian-Wei Zou; Ming-Biao Xu; Xue-Ming Li; Qing-Sen Yu

ناشر: Elsevier Science

سال: 2011

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Ab initio investigation of halogen bonding interactions involving fluorine as an electron acceptor

نوع: Journal Paper

نویسنده : Yun-Xiang Lu; Jian-Wei Zou; Qing-Sen Yu; Yong-Jun Jiang; Wen-Na Zhao

ناشر: Elsevier Science

سال: 2007

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Theoretical investigations of the C–X/π interactions between benzene and some model halocarbons

نوع: Journal Paper

نویسنده : Yun-Xiang Lu; Jian-Wei Zou; Yan-Hua Wang; Qing-Sen Yu

ناشر: Elsevier Science

سال: 2007

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Ab Initio Study of the Complexes of Halogen-Containing Molecules RX (X=Cl, Br, and I) and NH3: Towards Understanding the Nature of Halogen Bonding and the Electron-Accepting Propensities of Covalently Bonded Halogen Atoms

نوع: Journal Paper

نویسنده : Jian-Wei Zou; Yong-Jun Jiang; Ming Guo; Gui-Xiang Hu; Bing Zhang; Hai-Chun Liu; Qing-Sen Yu

سال: 2005

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Ab initio calculations on halogen-bonded complexes and comparison with density functional methods

نوع: Journal Paper

نویسنده : Yun-Xiang Lu; Jian-Wei Zou; Ji-Cai Fan; Wen-Na Zhao; Yong-Jun Jiang; Qing-Sen Yu

سال: 2009

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Molecular docking and molecular dynamics simulation studies of GPR40 receptor–agonist interactions

نوع: Journal Paper

نویسنده : Shao-Yong Lu; Yong-Jun Jiang; Jing Lv; Tian-Xing Wu; Qing-Sen Yu; Wei-Liang Zhu

سال: 2010

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Ab initio and atoms in molecules analyses of halogen bonding with a continuum of strength

Halogen Bonding: An AIM Analysis of the Weak Interactions

DFT model investigations on copper(II) chloride complexes: Halogen bonding of pyridyl bromine of CuCl2(NH3)(NC5H4Br-3) with several metal ligands

Evaluation of nucleotide C–Br⋯O–P contacts from ONIOM calculations: Theoretical insight into halogen bonding in nucleic acids

Ab initio investigation of halogen bonding interactions involving fluorine as an electron acceptor

Theoretical investigations of the C–X/π interactions between benzene and some model halocarbons

Ab Initio Study of the Complexes of Halogen-Containing Molecules RX (X=Cl, Br, and I) and NH3: Towards Understanding the Nature of Halogen Bonding and the Electron-Accepting Propensities of Covalently Bonded Halogen Atoms

Ab initio calculations on halogen-bonded complexes and comparison with density functional methods

Molecular docking and molecular dynamics simulation studies of GPR40 receptor–agonist interactions

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Ab initio and atoms in molecules analyses of halogen bonding with a continuum of strength

Halogen Bonding: An AIM Analysis of the Weak Interactions

DFT model investigations on copper(II) chloride complexes: Halogen bonding of pyridyl bromine of CuCl2(NH3)(NC5H4Br-3) with several metal ligands

Evaluation of nucleotide C–Br⋯O–P contacts from ONIOM calculations: Theoretical insight into halogen bonding in nucleic acids

Ab initio investigation of halogen bonding interactions involving fluorine as an electron acceptor

Theoretical investigations of the C–X/π interactions between benzene and some model halocarbons

Ab Initio Study of the Complexes of Halogen-Containing Molecules RX (X=Cl, Br, and I) and NH3: Towards Understanding the Nature of Halogen Bonding and the Electron-Accepting Propensities of Covalently Bonded Halogen Atoms

Ab initio calculations on halogen-bonded complexes and comparison with density functional methods

Molecular docking and molecular dynamics simulation studies of GPR40 receptor–agonist interactions