| 1 |
Quantum chemical modeling of iron oxide magnetic nanoparticles functionalized with cytarabine
Shabani Z, Morsali A, Bozorgmehr MR, Beyramabadi SA
Chemical Physics Letters, 719, 12, 2019 |
| 2 |
The Kohn-Sham electronic density of states of liquid HCN: Tuning a long-range corrected exchange-correlation functional for predicting electron binding energies
Cabral BJC
Chemical Physics Letters, 724, 96, 2019 |
| 3 |
Probing C center dot center dot center dot S chalcogen bonds in complexes SC:SHX, for X = NO2, NC, F, Cl, CN, CCH, and NH2
Del Bene JE, Alkorta I, Elguero J
Chemical Physics Letters, 721, 86, 2019 |
| 4 |
Exploring (NC)-C-center dot center dot center dot tetrel and (OS)-S-center dot center dot center dot chalcogen bonds in HN(CH)SX:OCS systems, for X = F, NC, Cl, CN, CCH, and H
Del Bene JE, Alkorta I, Elguero J
Chemical Physics Letters, 730, 466, 2019 |
| 5 |
Band structures, effective masses and exciton binding energies of perovskite polymorphs of CH3NH3PbI3
Zhong M, Zeng W, Tang H, Wang LX, Liu FS, Tang B, Liu QJ
Solar Energy, 190, 617, 2019 |
| 6 |
Basis sets for the calculation of core-electron binding energies
Hanson-Heine MWD, George MW, Besley NA
Chemical Physics Letters, 699, 279, 2018 |
| 7 |
Li+-ligand binding energies and the effect of ligand fluorination on the binding energies
Bauschlicher CW
Chemical Physics Letters, 694, 86, 2018 |
| 8 |
Electron binding energies and the fundamental gap of a push-pull dye in a polar environment: p-nitroaniline in liquid water
Cabral BJC
Chemical Physics Letters, 667, 332, 2017 |
| 9 |
Hydrogen-bonded complexes with carbenes as electron-pair donors
Del Bene JE, Alkorta I, Elguero J
Chemical Physics Letters, 675, 46, 2017 |
| 10 |
Halogen bonding with carbene bases
Del Bene JE, Alkorta I, Elguero J
Chemical Physics Letters, 685, 338, 2017 |
