| Immunosuppressive agent leflunomide: A SWNTs-immobilized dihydroortate dehydrogenase inhibitory effect and computational study of its adsorption properties on zigzag single … H Raissi, F Mollania European Journal of Pharmaceutical Sciences 56, 37-54, 2014 | 55 | 2014 |
| Ab initio and DFT computational studies on molecular conformations and strength of the intramolecular hydrogen bond in different conformers of 3-amino-2-iminomethyl acryl aldehyde H Raissi, M Yoosefian, F Mollania, F Farzad, AR Nowroozi Computational and Theoretical Chemistry 966 (1-3), 299-305, 2011 | 44 | 2011 |
| Electronic structures, intramolecular interactions, and aromaticity of substituted 1-(2-iminoethylidene) silan amine: a density functional study H Raissi, M Yoosefian, F Mollania, S Khoshkhou Structural Chemistry 24, 123-137, 2013 | 43 | 2013 |
| Ab initio and DFT studies on 1-(thionitrosomethylene) hydrazine: conformers, energies, and intramolecular hydrogen-bond strength H Raissi, A Khanmohammadi, M Yoosefian, F Mollania Structural Chemistry 24, 1121-1133, 2013 | 42 | 2013 |
| Boron nitride nanostructures as effective adsorbents for melphalan anti-ovarian cancer drug. Preliminary MTT assay and in vitro cellular toxicity R Guo, Q Liu, W Wang, R Tayebee, F Mollania Journal of Molecular Liquids 325, 114798, 2021 | 41 | 2021 |
| Comprehensive study of the interaction between hydrogen halides and methanol derivatives H Raissi, M Yoosefian, F Mollania International Journal of Quantum Chemistry 112 (16), 2782-2786, 2012 | 40 | 2012 |
| Hydrogen bond studies in substituted imino-acetaldehyde oxime H Raissi, M Yoosefian, F Mollania Computational and theoretical chemistry 996, 68-75, 2012 | 39 | 2012 |
| Molecular structure and bonding character of mono and divalent metal cations (Li+, Na+, K+, Be2+, Mg2+, and Ca2+) with substituted benzene derivatives: AIM … A Khanmohammadi, H Raissi, F Mollania, L Hokmabadi Structural Chemistry 25, 1327-1342, 2014 | 30 | 2014 |
| Electronic structures, intramolecular hydrogen bond interaction, and aromaticity of substituted 4-amino-3-penten-2-one in ground and electronic excited state M Shahabi, H Raissi, F Mollania Structural Chemistry 26, 491-506, 2015 | 27 | 2015 |
| Modeling the interaction between anti-cancer drug penicillamine and pristine and functionalized carbon nanotubes for medical applications: Density functional theory … H Shaki, H Raissi, F Mollania, H Hashemzadeh Journal of Biomolecular Structure and Dynamics, 2019 | 25 | 2019 |
| The effect of substitution on structure, intramolecular hydrogen bonding strength, electron density and resonance in 3-amino 2-iminomethyl acryl aldehyde H Raissi, M Yoosefian, F Mollania, F Farzad Journal of Theoretical and Computational Chemistry 11 (05), 925-939, 2012 | 18 | 2012 |
| A Theoretical DFT Study on the Structural Parameters and Intramolecular Hydrogen-Bond Strength in Substituted (Z)-N-(Thionitrosomethylene)thiohydroxylamine … H Raissi, A Khanmohammadi, F Mollania Bulletin of the Chemical Society of Japan 86 (11), 1261-1271, 2013 | 17 | 2013 |
| Solvent effects on the structural, electronic properties and intramolecular N–HO hydrogen bond strength of 5-aminomethylene-pyrimidine-2, 4, 6 trion with DFT calculations S Pasban, H Raissi, F Mollania Journal of Molecular Liquids 215, 77-87, 2016 | 16 | 2016 |
| Evaluation of solvent and ion effects upon leflunomide adsorption characteristics on (6, 0) zigzag single-walled carbon nanotube and immobilized dihydroorotate dehydrogenase … F Mollania, H Raissi Journal of Molecular Liquids 231, 528-541, 2017 | 11 | 2017 |
| The analysis of structural and electronic properties for assessment of intramolecular hydrogen bond (IMHB) interaction: a comprehensive study into the effect of substitution on … H Raissi, Z Khoshbin, F Mollania Structural Chemistry 25, 515-538, 2014 | 11 | 2014 |
| Molecular structure, conformational stability, energetic and intramolecular hydrogen bonding in ground, and electronic excited state of 3-mercapto propeneselenal M Shokhmkar, H Raissi, F Mollania Structural Chemistry 25, 1153-1164, 2014 | 10 | 2014 |
| CONFORMATIONAL PROPERTIES AND INTRAMOLECULAR HYDROGEN BONDING OF 3-AMINO-PROPENESELENAL: AN AB INITIO AND DENSITY … H Raissi, F Farzad, S Eslamdoost, F Mollania Journal of Theoretical and Computational Chemistry 12 (04), 1350025, 2013 | 10 | 2013 |
| Theoretical study of substituents effects on characteristics of resonance-assisted hydrogen bond in (Z)-(thionitrosomethylene)hydrazine and its derivatives in … F Mollania, H Raissi Structural Chemistry 25, 1099-1109, 2014 | 5 | 2014 |
| Investigating the ability of Securigera securidaca extract in biological synthesis of selenium nanoparticles, pancreatic α-amylase inhibition, antioxidant and phenolic … F Mollania, H Sahabi Nanotechnology for Environmental Engineering 7, 1-10, 2022 | 2 | 2022 |
| Quantum chemical study on influence of the substitution effect on the structural and electronic properties and intramolecular hydrogen bonding of 2-nitrophenyl hydrosulfide in … H Heydari, H Raissi, F Mollania Structural Chemistry 26, 971-987, 2015 | 2 | 2015 |
