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  1. Article

    Open Access

    An unprecedented (3,4,24)-connected heteropolyoxozincate organic framework as heterogeneous crystalline Lewis acid catalyst for biodiesel production

    A novel 3D hexadecanuclear heteropolyoxozincate organic framework, IFMC-200, has been successfully synthesized based on a late transition metal-oxygen cluster. IFMC-200 not only represents the first example of...

    Dong-Ying Du, Jun-Sheng Qin, Zhong Sun, Li-Kai Yan, Michael O'Keeffe… in Scientific Reports (2013)

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    Article

    Quantum chemical studies of Lindqvist-type polyoxometalates containing late 3d transition metals ([(py)MIIW5O18]4− (M = Fe, Co, Ni)): MII–N bonding and second-order nonlinear optical properties

    The electronic and nonlinear optical (NLO) properties of Lindqvist-type tungstate containing late 3d transition metals [(py)MW5O18]4− (M = Fe, Co, Ni) have been systematically investigate...

    Sha Cong, Li Kai Yan, Shi Zheng Wen, Wei Guan… in Theoretical Chemistry Accounts (2011)

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    Article

    Length-Dependent Direction-Tunable Charge-Transfer Behavior of Second-Order Optical Nonlinearity in Keggin-Type Organosilicone Derivative [PW11O39(RSi)2O]3−: A TDDFT Study

    The second-order nonlinear optical (NLO) properties of Keggin-type organosilicone derivatives [PW11O39(RSi)2O]3− are investigated by time-dependent density functional theory (TDDFT). Our results indicated that th...

    Chan Yao, Li-Kai Yan, Wei Guan, Chun-Guang Liu, ** Song… in Journal of Cluster Science (2010)

  4. No Access

    Article

    Theoretical study on nonlinear optical properties of metalloporphyrin using elongation method

    A quantum-chemical analysis of the central metal effect on the (hyper)polarizabilities of meso-meso-linked metalloporphyrin (MP) oligomers was carried out using elongation finite-field (ELG-FF) method. It is foun...

    Li Kai Yan, Anna Pomogaeva, Feng Long Gu, Yuriko Aoki in Theoretical Chemistry Accounts (2010)

  5. No Access

    Article

    Synthesis, Crystal Structure and Spectroscopic Studies of a Supramolecular Compound [Cu(IDA)(phen)(H2O)]·4H2O Built from π–π Interactions and Hydrogen Bonds

    The stoichiometric reaction of (MeCOO)2Cu, iminodiacetic acid (H2IDA) and 1,10-phenanthroline (phen) in H2O yields the novel complex [Cu(IDA)(phen)(H2O)]·4H2O (1). An X-ray structural determination shows that the...

    Hong-Bin Xu, Li-Kai Yan, Zhong-Min Su, Shu-Mei Yue… in Transition Metal Chemistry (2004)