Deep eutectic solvents for pretreatment, extraction, and catalysis of biomass and food waste P Kalhor, K Ghandi Molecules 24 (22), 4012, 2019 | 248 | 2019 |
Structural properties and hydrogen-bonding interactions in binary mixtures containing a deep-eutectic solvent and acetonitrile P Kalhor, J Xu, H Ashraf, B Cao, ZW Yu The Journal of Physical Chemistry B 124 (7), 1229-1239, 2020 | 44 | 2020 |
Deep eutectic solvents as catalysts for upgrading biomass P Kalhor, K Ghandi Catalysts 11 (2), 178, 2021 | 40 | 2021 |
Influence of Hydration on the Structure and Interactions of Ethaline Deep‐Eutectic Solvent: A Spectroscopic and Computational Study P Kalhor, YZ Zheng, H Ashraf, B Cao, ZW Yu ChemPhysChem 21 (10), 995-1005, 2020 | 36 | 2020 |
Is the Fourier Transform Infrared Free-OH Band of t-Butanol Only from Free OHs? Case Studies on the Binary Systems of the Alcohol with CCl4 and CHCl3 P Kalhor, QZ Li, YZ Zheng, ZW Yu The Journal of Physical Chemistry A 124 (30), 6177-6185, 2020 | 21 | 2020 |
Molecular modelling of ionic liquids: General guidelines on fixed-charge force fields for balanced descriptions Z Sun, Z Gong, L Zheng, P Kalhor, Z Huai, Z Liu Journal of Ionic Liquids 2 (2), 100043, 2022 | 20 | 2022 |
Local acid strength of solutions and its quantitative evaluation using excess infrared nitrile probes J Xu, G Deng, YT Wang, HY Guo, P Kalhor, ZW Yu The Journal of Physical Chemistry Letters 11 (3), 1007-1012, 2020 | 20 | 2020 |
The structural properties of a ZnCl 2–ethylene glycol binary system and the peculiarities at the eutectic composition P Kalhor, K Ghandi, H Ashraf, Z Yu Physical Chemistry Chemical Physics 23 (23), 13136-13147, 2021 | 18 | 2021 |
The Structures of ZnCl2-Ethanol Mixtures, a Spectroscopic and Quantum Chemical Calculation Study P Kalhor, Y Wang, Z Yu Molecules 26 (9), 2498, 2021 | 13 | 2021 |
Structural and hydrogen-bonding properties of neat t-BuNH2 and its binary mixtures with CCl4, CHCl3 and DMSO P Kalhor, ZW Yu Journal of Molecular Structure 1215, 128257, 2020 | 12 | 2020 |
Functional material systems enabled by automated data extraction and machine learning P Kalhor, N Jung, S Bräse, C Wöll, M Tsotsalas, P Friederich Advanced Functional Materials 34 (20), 2302630, 2024 | 8 | 2024 |
Potassium carbonate-based ternary transition temperature mixture (deep eutectic analogues) for CO2 absorption: Characterizations and DFT analysis H Ghaedi, P Kalhor, M Zhao, PT Clough, EJ Anthony, PS Fennell Frontiers of Environmental Science & Engineering 16, 1-12, 2022 | 8 | 2022 |
A General Picture of Cucurbit [8] uril Host–Guest Binding: Recalibrating Bonded Interactions Z Sun, Q He, Z Gong, P Kalhor, Z Huai, Z Liu Molecules 28 (7), 3124, 2023 | 7 | 2023 |
Identification and properties of ion-pairs in the aqueous solutions of LiI and NaI by FTIR and quantum chemical calculations H Ashraf, B Cao, P Kalhor, ZW Yu Journal of Molecular Liquids 322, 114891, 2021 | 5 | 2021 |
Quantitative structure-retention index relationship (QSRIR) study of monomethylalkanes on the methylsilicone OV-1 stationary phase N Goudarzi, P Kalhor Analytical Chemistry Letters 2 (1), 13-26, 2012 | 5 | 2012 |
A General Picture of Cucurbit [8] uril Host-Guest Binding: Recalibrating Bonded Interactions Z Sun, Q He, G Zhihao, K Payam, Z Huai, Z Liu ChemRxiv, 2021 | 4 | 2021 |
Quantum chemical calculations on dissolution of dimethylformamide in ethaline P Kalhor, O Yarivand, K Seifpanahi-Shabani Journal of Molecular Graphics and Modelling 107, 107966, 2021 | 4 | 2021 |
Linear and Nonlinear QSAR Study of N2 and O6 Substituted Guanine Derivatives as Cyclin‐Dependent Kinase 2 Inhibitors N Goudarzi, M Arab Chamjangali, P Kalhor International Scholarly Research Notices 2013 (1), 151464, 2013 | 4 | 2013 |
Extensive numerical tests of leapfrog integrator in middle thermostat scheme in molecular simulations Z Sun, P Kalhor, Y Xu, J Liu Chinese Journal of Chemical Physics 34 (6), 932-948, 2021 | 3 | 2021 |
Accurate modelling of pyrrolidinium ionic liquids with charge and vdW scaling Z Sun, X Liu, L Zheng, T Cheng, P Kalhor, Z Huai, Q He, Y Li Journal of Molecular Liquids 386, 122541, 2023 | 2 | 2023 |