期刊信息

国际刊号:

0948-5023

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序号 标题 作者 起始页 操作
1 Ruthenium hydride-catalyzed regioselective addition of benzaldehyde to dienes leading to β,γ-unsaturated ketones: a DFT study Qingxi Meng, Fen Wang, Ming Li 4,955
2 Structure and functional features of olive pollen pectin methylesterase using homology modeling and molecular docking methods Jose C. Jimenez-Lopez, Simeon O. Kotchoni, María I. Rodríguez-García... 4,965
3 Theoretical study on ion-pair recognition of M+</sup>X-</sup> (M = Li, Na, K and X = F, Cl, Br) by formylaminocalix[4]arene derivatives Ju Xie, Guolian Jin, Long Sun... 4,985
4 Identification of old drugs as potential inhibitors of HIV-1 integrase – human LEDGF/p75 interaction via molecular docking Guoping Hu, Xi Li, Xianqiang Sun... 4,995
5 Investigation of H-bonding and halogen-bonding effects in dichloroacetic acid: DFT calculations of NQR parameters and QTAIM analysis Mehdi D. Esrafili 5,005
6 Computational investigation on microsolvation of the osmolyte glycine betaine [GB (H2</sub>O)1-7</sub>] Srinivasadesikan Venkatesan, Shyi-Long Lee 5,017
7 Interaction between an icosahedron Li13</sub> cluster and a graphene layer doped with a hydrogen atom Eduardo Rangel, Gerardo Vázquez, Fernando Magaña... 5,029
8 First principles study of periodic size dependent band gap variation of Cu doped ZnO single-wall nanotube Dong Mei Song, Tong Hui Wang, Jian Chen Li 5,035
9 DFT study of glucose based glycolipid crown ethers and their complexes with alkali metal cations Na+</sup> and K+</sup> Hockseng Nguan, Sara Ahmadi, Rauzah Hashim 5,041
10 Selectivity and activation of dopamine D3R from molecular dynamics Zhiwei Feng, Tingjun Hou, Youyong Li 5,051