Does fluorine participate in halogen bonding? K Eskandari, M Lesani Chemistry–A European Journal 21 (12), 4739-4746, 2015 | 162 | 2015 |
The chemical nature of very strong hydrogen bonds in some categories of compounds AH Pakiari, K Eskandari Journal of Molecular Structure: THEOCHEM 759 (1-3), 51-60, 2006 | 148 | 2006 |
Halogen bonding: A lump–hole interaction K Eskandari, H Zariny Chemical Physics Letters 492 (1-3), 9-13, 2010 | 139 | 2010 |
Hydrogen–hydrogen interaction in planar biphenyl: A theoretical study based on the interacting quantum atoms and H irshfeld atomic energy partitioning methods K Eskandari, C Van Alsenoy Journal of computational chemistry 35 (26), 1883-1889, 2014 | 87 | 2014 |
Closed shell oxygen–oxygen bonding interaction based on electron density analysis AH Pakiari, K Eskandari Journal of Molecular Structure: THEOCHEM 806 (1-3), 1-7, 2007 | 70 | 2007 |
A new fluorene derived Schiff-base as a dual selective fluorescent probe for Cu2+ and CN− FN Moghadam, M Amirnasr, S Meghdadi, K Eskandari, A Buchholz, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 207, 6-15, 2019 | 64 | 2019 |
Characteristics of beryllium bonds; a QTAIM study K Eskandari Journal of molecular modeling 18, 3481-3487, 2012 | 48 | 2012 |
Interpretation of anomeric effect in the N− C− N unit with the quantum theory of atoms in molecules K Eskandari, A Vila, RA Mosquera The Journal of Physical Chemistry A 111 (34), 8491-8499, 2007 | 47 | 2007 |
Pnicogen bonds: a theoretical study based on the Laplacian of electron density K Eskandari, N Mahmoodabadi The Journal of Physical Chemistry A 117 (48), 13018-13024, 2013 | 45 | 2013 |
Synthesis, characterization, crystal structure determination and computational study of the two new bidentate O, N Schiff bases derived from bromosalicylaldehyde and amines … G Grivani, V Tahmasebi, K Eskandari, AD Khalaji, G Bruno, HA Rudbari Journal of Molecular Structure 1054, 100-106, 2013 | 35 | 2013 |
Directionality of halogen bonds: An interacting quantum atoms (IQA) and relative energy gradient (REG) study N Orangi, K Eskandari, JCR Thacker, PLA Popelier ChemPhysChem 20 (15), 1922-1930, 2019 | 34 | 2019 |
Sulfonated or phosphonated membranes? DFT investigation of proton exchange in poly (oxadiazole) membranes A Abdolmaleki, K Eskandari, MR Molavian Polymer 87, 181-193, 2016 | 31 | 2016 |
Oxidative addition of n-alkyl halides to diimine–dialkylplatinum (II) complexes: a closer look at the kinetic behaviors SM Nabavizadeh, SJ Hoseini, BZ Momeni, N Shahabadi, M Rashidi, ... Dalton Transactions, 2414-2421, 2008 | 31 | 2008 |
Halogen bonding: a theoretical study based on atomic multipoles derived from quantum theory of atoms in molecules HJ Jahromi, K Eskandari Structural Chemistry 24, 1281-1287, 2013 | 29 | 2013 |
A new disulfide Schiff base as a versatile “OFF–ON–OFF” fluorescent–colorimetric chemosensor for sequential detection of CN− and Fe3+ ions: combined experimental and … FN Moghadam, M Amirnasr, K Eskandari, S Meghdadi New Journal of Chemistry 43 (34), 13536-13544, 2019 | 27 | 2019 |
Nature of intramolecular interactions of vitamin C in view of interacting quantum atoms: The role of hydrogen bond cooperativity on geometry S Ebrahimi, HA Dabbagh, K Eskandari Physical Chemistry Chemical Physics 18 (27), 18278-18288, 2016 | 24 | 2016 |
Theoretical investigation of proton-transfer in different membranes for PEMFC applications in low humidity conditions MR Molavian, A Abdolmaleki, K Eskandari Computational Materials Science 122, 126-138, 2016 | 20 | 2016 |
Nature of closed‐and open‐shell interactions between noble metals and rare gas atoms Z Jamshidi, K Eskandari, SM Azami International Journal of Quantum Chemistry 113 (16), 1981-1991, 2013 | 20 | 2013 |
ONIOM DFT study of the adsorption of cytosine on the Au/Ag and Ag/Au bimetallic nanosurfaces: the effect of sublayer H Farrokhpour, M Ghandehari, K Eskandari Applied Surface Science 457, 712-725, 2018 | 15 | 2018 |
Comparison of halogen bonds in M−X⋯N contacts (M=C, Si, Ge and X=Cl, Br) HJ Jahromi, K Eskandari, A Alizadeh Journal of molecular modeling 21, 1-9, 2015 | 15 | 2015 |