Ab Initio Calculations of the Conformational Preferences of 1,3-Oxathiane S-Oxide and its Analogs Containing S and SE Atoms—Evidence for Stereoelectronic … N Masnabadi, AT Manesh, F Azarakhshi Phosphorus, Sulfur, and Silicon and the Related Elements 188 (8), 1053-1063, 2013 | 9 | 2013 |
Process Optimization and Kinetic study of Wet Peroxide Oxidation of Phenol in Wastewater over Mg-Al Nano Mixed Oxide M Samandari, A Taghva Manesh, SA Hosseini, S Mansouri Iranian Journal of Catalysis 11 (2), 175-180, 2021 | 5 | 2021 |
The new type of heteroborospherene as a potential promising high drug-loading capacity for carmustine anticancer drug: Theoretical perspectives H Soleymanabadi, M Karimkhani, AT Manesh Computational and Theoretical Chemistry 1238, 114741, 2024 | 2 | 2024 |
A detailed kinetic study on the tautomerization reactions of barbituric acid: A combined DFT-QTAIM analysis N Hajali, A Taghva Manesh, A Seif Main Group Chemistry 21 (2), 681-696, 2022 | 2 | 2022 |
Homo pair formations of thiobarbituric acid: DFT calculations and QTAIM analysis L Fatahiyan, A Taghva Manesh, N Masan Abadi Main Group Chemistry 21 (1), 303-313, 2022 | 2 | 2022 |
Variational RRKM theory calculation of thermal rate constant for carbon—hydrogen bond fission reaction of nitro benzene AT Manesh, Z Heidarnezhad, N Masnabadi Russian Journal of Physical Chemistry A 87, 1175-1179, 2013 | 2 | 2013 |
Tautomerization reactions of thiobarbituric acid: A detailed kinetic study using combined canonical variational transition state theory and QTAIM approach L Fatahiyan, A Taghva Manesh, N Masnabadi International Journal of Chemical Kinetics 55 (5), 247-260, 2023 | 1 | 2023 |
Investigating Functionalization Impacts on Structural Features of Barbituric Acid Derivatives: DFT Approach N Hajali, A Taghva Manesh, A Seif Main Group Chemistry 20 (4), 529-537, 2021 | 1 | 2021 |
Lithium Including Mixed Sodium Inside Graphene Oxide (GO) as Anodic Electrodes for ion Batteries. S Bagheri, M Monajjemi, A Ziglari, AT Manesh Oriental Journal of Chemistry 34 (2), 2018 | 1 | 2018 |
Development of electronic nanosensor using B36 borophene nanosheets to detect phosgene: A molecular quantum mechanics approach H Soleymanabadi, M Karimkhani, AT Manesh Computational and Theoretical Chemistry, 114843, 2024 | | 2024 |
Tautomerization reactions of thiobarbituric acid: A detailed kinetic study using combined TST and QTAIM approach L Fatahiyan, AT Manesh, N Masnabadi Authorea Preprints, 2022 | | 2022 |
Synthesis and Characterization of Photo‐catalyst Ag2S/WO3 and its Application for Crystal Violet Degradation in the Aqueous Medium M Abdoli, AT Manesh, M Ghaedi, M Aghaie ChemistrySelect 7 (9), e202103439, 2022 | | 2022 |
Formations of bimolecular barbituric acid complexes through hydrogen bonding interactions: DFT analyses of structural and electronic features N Hajali, A Taghva Manesh, A Seif Main Group Chemistry 21 (1), 145-155, 2022 | | 2022 |
Calculation of Arrhenius parameters by the RRKM method for the carbon–hydrogen bond fission reaction of fluorobenzene AT Manesh, Z Heidarnezhad, M Vahedpour, N Masnabadi Progress in Reaction Kinetics and Mechanism 42 (2), 182-190, 2017 | | 2017 |
Variational RRKM calculation of thermal rate constant for C–H bond fission reaction of nitro methane AT Manesh, R Solhnejad Arabian Journal of Chemistry 10, S1055-S1058, 2017 | | 2017 |
Conformational Behaviors of 2, 6-Dihalothiane-1-oxides and their Containing Se atom Analogous; encounter between Stereoelectronic and Steric Effects N Masnabadi, AT Manesh | | |