| Parameterization of a reactive force field using a Monte Carlo algorithm E Iype, M Hütter, APJ Jansen, SV Nedea, CCM Rindt Journal of computational chemistry 34 (13), 1143-1154, 2013 | 99 | 2013 |
| DFT Study on Characterization of Hydrogen Bonds in the Hydrates of MgSO4 E Iype, SV Nedea, CCM Rindt, AA van Steenhoven, HA Zondag, ... The Journal of Physical Chemistry C 116 (35), 18584-18590, 2012 | 43 | 2012 |
| Site stability on cobalt nanoparticles: a molecular dynamics ReaxFF reactive force field study XQ Zhang, E Iype, SV Nedea, APJ Jansen, BM Szyja, EJM Hensen, ... The Journal of Physical Chemistry C 118 (13), 6882-6886, 2014 | 38 | 2014 |
| A DFT based equilibrium study on the hydrolysis and the dehydration reactions of MgCl2 hydrates B Smeets, E Iype, SV Nedea, HA Zondag, CCM Rindt The Journal of chemical physics 139 (12), 2013 | 36 | 2013 |
| Molecular dynamics study on thermal dehydration process of epsomite (MgSO4· 7H2O) H Zhang, E Iype, SV Nedea, CCM Rindt Molecular Simulation 40 (14), 1157-1166, 2014 | 27 | 2014 |
| Modeling rarefied gas-solid surface interactions for Couette flow with different wall temperatures using an unsupervised machine learning technique SM Nejad, E Iype, S Nedea, A Frijns, D Smeulders Physical Review E 104 (1), 015309, 2021 | 19 | 2021 |
| Understanding the asymmetric spread and case fatality rate (CFR) for COVID-19 among countries E Iype, S Gulati MedRxiv, 2020.04. 21.20073791, 2020 | 19 | 2020 |
| Mesoscopic simulations of hydrophilic cross-linked polycarbonate polyurethane networks: structure and morphology E Iype, ACC Esteves Soft Matter 12 (22), 5029-5040, 2016 | 18 | 2016 |
| Surface modification of date seeds (Phoenix dactylifera) using potassium hydroxide for wastewater treatment to remove azo dye A Arunachalam, RG Chaudhuri, E Iype, BG Prakash Kumar Water Practice & Technology 13 (4), 859-870, 2018 | 17 | 2018 |
| Direct Amine-Catalyzed Enantioselective Synthesis of Pentacyclic Dibenzo[b,f][1,4]oxazepine/Thiazepine-Fused Isoquinuclidines along with DFT Calculations J Yadav, AP Pawar, YK Nagare, E Iype, K Rangan, J Ohshita, D Kumar, ... The Journal of Organic Chemistry 85 (21), 14094-14108, 2020 | 16 | 2020 |
| Neural network for mechanical property estimation of multilayered laminate composite A Barbosa, P Upadhyaya, E Iype Materials Today: Proceedings 28, 982-985, 2020 | 15 | 2020 |
| Sequential multicomponent site-selective synthesis of 4-iodo and 5-iodopyrrole-3-carboxaldehydes from a common set of starting materials by tuning the conditions S Choudhary, J Yadav, AP Pawar, S Vanaparthi, NA Mir, E Iype, ... Organic & Biomolecular Chemistry 18 (6), 1155-1164, 2020 | 14 | 2020 |
| Visible light active 2D C3N4-CdS hetero-junction photocatalyst for effective removal of azo dye by photodegradation RG Chaudhuri, A Chaturvedi, E Iype Materials Research Express 5 (3), 036202, 2018 | 14 | 2018 |
| Electrochemical Oxidative Addition of Nucleophiles on 2-Arylindoles: Synthesis of C2-Heteroquaternary Indolin-3-ones YK Nagare, IA Shah, J Yadav, AP Pawar, K Rangan, R Choudhary, E Iype, ... The Journal of Organic Chemistry 87 (23), 15771-15782, 2022 | 12 | 2022 |
| Asymmetric Synthesis of Bridged N-Heterocycles with Tertiary Carbon Center through Barbas Dienamine-Catalysis: Scope and Applications J Yadav, AJ Dolas, E Iype, K Rangan, J Ohshita, D Kumar, I Kumar The Journal of Organic Chemistry 86 (23), 17213-17225, 2021 | 12 | 2021 |
| Machine learning model for non-equilibrium structures and energies of simple molecules E Iype, S Urolagin The Journal of Chemical Physics 150 (2), 2019 | 12 | 2019 |
| Direct catalytic synthesis of β-(C3)-substituted pyrroles: a complementary addition to the Paal–Knorr reaction AP Pawar, J Yadav, NA Mir, E Iype, K Rangan, S Anthal, R Kant, I Kumar Chemical Communications 57 (2), 251-254, 2021 | 11 | 2021 |
| Peptide inhibitors against SARS-CoV-2 2′-O-methyltransferase involved in RNA capping: a computational approach M Dutta, E Iype Biochemistry and Biophysics Reports 27, 101069, 2021 | 10 | 2021 |
| Enantio- and Diastereoselective Two-Pot Synthesis of Isoquinuclidines from Glutaraldehyde and N-Aryl Imines with DFT Calculations P Ramaraju, AP Pawar, E Iype, NA Mir, S Choudhary, DK Sharma, R Kant, ... The Journal of Organic Chemistry 84 (19), 12408-12419, 2019 | 10 | 2019 |
| Molecular dynamics simulation of dehydration of salt hydrates (MgSO4· 7H2O and ZnSO4· 7H2O) S Gulati, Z Tabassum, U Schwingenschlogl, E Iype Materials Today: Proceedings 28, 1013-1017, 2020 | 8 | 2020 |
