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  1.  

    Hydrogen-bonding behavior of various conformations of the HNO3…(CH3OH)2 ternary system

    Özsoy, H. / Uras-Aytemiz, N. / Balcı, F. M. | British Library Online Contents | 2018
  2.  

    Are beryllium-containing biphenyl derivatives efficient anion sponges?

    Brea, O. / Mó, O. / Yáñez, M. et al. | British Library Online Contents | 2018
  3.  

    Theoretical and experimental investigation into a eutectic system of 3,4-dinitropyrazole and 1-methyl-3,4,5-trinitropyrazole

    Zhu, S. f. / Zhang, S. h. / Gou, R. j. et al. | British Library Online Contents | 2018
  4.  

    Double-layer carbon nanocapsules with radioiodine content and its interaction with calcium, phosphorus, and strontium

    Valderrama, A. / Reynoso, R. s. / Gómez, R. l. et al. | British Library Online Contents | 2018
  5.  

    Electronic and optical properties of functionalized zigzag ZnO nanotubes

    Srivastava, A. / Gupta, P. / Khan, M. S. et al. | British Library Online Contents | 2018
  6.  

    A DFT study of the interaction between [Cd(H2O)3]2+ and monodentate O-, N-, and S-donor ligands: bond interaction analysis

    Silva, V. H. / Quattrociocchi, D. G. / Stoyanov, S. R. et al. | British Library Online Contents | 2018
  7.  

    Theoretical insights on the oxygen-reduction reaction mechanism of LaN4-embedded graphene

    Sun, X. / Li, K. / Yin, C. et al. | British Library Online Contents | 2018
  8.  

    The phosphorelay signal transduction system in Candida glabrata: an in silico analysis

    Carapia-Minero, N. / Castelán-Vega, J. A. / Pérez, N. s. et al. | British Library Online Contents | 2018
  9.  

    Theoretical predictions of anti-corrosive properties of THAM and its derivatives

    Malinowski, S. / Jaroszyńska-Wolińska, J. / Herbert, T. | British Library Online Contents | 2018
  10.  

    Acetylene chain reaction on hydrogenated boron nitride monolayers: a density functional theory study

    Ponce-Pérez, R. / Cocoletzi, G. H. / Takeuchi, N. | British Library Online Contents | 2017
  11.  

    Fractional nuclear charge approach to isolated anion densities for Hirshfeld partitioning methods

    Heidar-Zadeh, F. / Ayers, P. W. / Bultinck, P. | British Library Online Contents | 2017
  12.  

    Inorganic benzenes as the noncovalent interaction donor: a study of the π-hole interactions

    Chu, R. / Zhang, X. / Meng, L. et al. | British Library Online Contents | 2017
  13.  

    Theoretically predicted ferrocene analogues with triplet aromatic CB5H5 ligands

    Zhang, S. / Duan, Y. / Cong, M. et al. | British Library Online Contents | 2017
  14.  

    What do docking and QSAR tell us about the design of HIV-1 reverse transcriptase nonnucleoside inhibitors?

    Paneth, A. / Płonka, W. / Paneth, P. | British Library Online Contents | 2017
  15.  

    Structural and electronic study of iron-based dye sensitizers for solar cells using DFT/TDDFT

    Bourouina, A. / Rekhis, M. a. | British Library Online Contents | 2017

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