| 1 |
Quantum theory of atoms in molecules for photovoltaics
Potemkin V, Palko N, Grishina M
Solar Energy, 190, 475, 2019 |
| 2 |
Effect of a molecule of imidazolium bromide ionic liquid on the structure and properties of cytosine by density functional theory
Xu JZ, Yi LG, Mou YX, Cao JP, Wang CJ
Chemical Physics Letters, 708, 109, 2018 |
| 3 |
Stability of Cu-Nb layered nanocomposite from chemical bonding
Saikia U, Sahariah MB, Pandey R
Chemical Physics Letters, 655, 59, 2016 |
| 4 |
Difluorodiazirine (CF2N2): A comparative quantum mechanical study of the first triplet and first singlet excited states
Terrabuio LA, Haiduke RLA, Matta CF
Chemical Physics Letters, 655, 96, 2016 |
| 5 |
Condensed-to-atoms hardness kernel from the response of molecular fragment approach
Miranda-Quintana RA
Chemical Physics Letters, 658, 328, 2016 |
| 6 |
Sulfonated or phosphonated membranes? DFT investigation of proton exchange in poly(oxadiazole) membranes
Abdolmaleki A, Eskandari K, Molavian MR
Polymer, 87, 181, 2016 |
| 7 |
Improving the hydrogen storage capacity of metal organic framework by chemical functionalization
Kumar RM, Sundar JV, Subramanian V
International Journal of Hydrogen Energy, 37(21), 16070, 2012 |
| 8 |
A DFT Study of Pyrrole-Isoxazole Derivatives as Chemosensors for Fluoride Anion
Jin RF, Sun WD, Tang SS
International Journal of Molecular Sciences, 13(9), 10986, 2012 |
| 9 |
Atoms in molecules theory for exploring the nature of the MoS2 catalyst edges sites
Aray Y, Rodriguez J
Journal of Molecular Catalysis A-Chemical, 265(1-2), 32, 2007 |
| 10 |
Nature of the NiMoS catalyst edge sites: An atom in molecules theory and electrostatic potential studies
Aray Y, Rodriguez J, Vidal AB, Coll S
Journal of Molecular Catalysis A-Chemical, 271(1-2), 105, 2007 |
