Journal of Molecular Modeling

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DFT study of glucose based glycolipid crown ethers and their complexes with alkali metal cations Na+ and K+
Journal of Molecular Modeling - Tập 18 - Trang 5041-5050 - 2012
Hockseng Nguan, Sara Ahmadi, Rauzah Hashim
Docking-assisted 3D-QSAR studies on xanthones as α-glucosidase inhibitors
Journal of Molecular Modeling - Tập 23 - Trang 1-12 - 2017
Xuehua Zheng, Siyuan Zhou, Chen Zhang, Deyan Wu, Hai-Bin Luo, Yinuo Wu
Formation enthalpies and dilute heats of HCP-HCP disordered binary alloys: modified ones of embedded atom method potentials
Journal of Molecular Modeling - Tập 27 - Trang 1-11 - 2021
Hak-Son Jin, Song-Nam Ho, Hyok-Chol Ri, He Yang
Computational study of the NO, SO2, and NH3 adsorptions on fragments of 3N-graphene and Al/3N graphene
Journal of Molecular Modeling - Tập 24 - Trang 1-10 - 2018
Yao-Dong Song, Liang Wang, Qian-Ting Wang
Reactivity of pyrazole derivatives with halomethanes: A DFT theoretical study
Journal of Molecular Modeling - Tập 24 - Trang 1-10 - 2018
Monia Chebbi, Youssef Arfaoui
Inorganic benzenes as the noncovalent interaction donor: a study of the π-hole interactions
Journal of Molecular Modeling - Tập 23 Số 12 - Trang 1-9 - 2017
Chu, Runtian, Zhang, Xueying, Meng, Lingpeng, Zeng, Yanli
Understanding structural/functional properties of amidase from Rhodococcus erythropolis by computational approaches
Journal of Molecular Modeling - Tập 15 - Trang 481-487 - 2008
Wei-Wei Han, Ying Wang, Yi-Han Zhou, Yuan Yao, Ze-Sheng Li, Yan Feng
Chemical carcinogens in non-enzymatic cytosine deamination: 3-isocyanatoacrylonitrile
Journal of Molecular Modeling - Tập 12 - Trang 731-737 - 2006
Rainer Glaser, Hong Wu, Francisca von Saint Paul
Three applications of path integrals: equilibrium and kinetic isotope effects, and the temperature dependence of the rate constant of the [1,5] sigmatropic hydrogen shift in (Z)-1,3-pentadiene
Journal of Molecular Modeling - Tập 16 - Trang 1779-1787 - 2010
Tomáš Zimmermann, Jiří Vaníček
Structure and electronic properties of (+)-catechin: aqueous solvent effects
Journal of Molecular Modeling - Tập 20 - Trang 1-13 - 2014
Erika N. Bentz, Alicia B. Pomilio, Rosana M. Lobayan
Tổng số: 4,272   
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