| Tailoring of the electronic property of Zn-BTC metal–organic framework via ligand functionalization: an ab initio investigation LB Gemechis D. Degaga, Ravindra Pandey, Chansi Gupta RSC Advances 9, 14260-14267, 2019 | 22 | 2019 |
| Investigation of N2 adsorption on Fe3O4 (001) using ambient pressure X-ray photoelectron spectroscopy and density functional theory GD Degaga, M Trought, S Nemsak, EJ Crumlin, M Seel, R Pandey, ... The Journal of chemical physics 152 (5), 2020 | 14 | 2020 |
| Part I: C2C4 hydrocarbons separation addressed via molecular cluster models carved out from periodic MOF-74-Mg/Zn structures GD Degaga, L Valenzano Chemical Physics Letters 660, 313-319, 2016 | 8 | 2016 |
| Part II: Quantum mechanical prediction of heats of adsorption for C2-C4 hydrocarbons in MOF-74-Mg/Zn periodic structures GD Degaga, L Valenzano Chemical Physics Letters 682, 168-174, 2017 | 5 | 2017 |
| First-Principles Study of a MoS2-PbS van der Waals Heterostructure Inspired by Naturally Occurring Merelaniite GD Degaga, S Kaur, R Pandey, JA Jaszczak Materials 14 (7), 1649, 2021 | 4 | 2021 |
| Quantum chemistry as a tool to assess energetic and spectroscopic properties of C1 and C2 hydrocarbons in MOF-74-Mg GD Degaga, L Valenzano Theoretical Chemistry Accounts 137, 1-18, 2018 | 1 | 2018 |
| Physicochemical, Spectroscopic Properties, and Diffusion Mechanisms of Small Hydrocarbon Molecules in MOF-74-Mg/Zn: A Quantum Chemical Investigation GD Degaga Michigan Technological University, 2018 | 1 | 2018 |
| Generative β-hairpin design using a residue-based physicochemical property landscape V Satalkar, GD Degaga, W Li, YT Pang, AC McShan, JC Gumbart, ... Biophysical Journal, 2024 | | 2024 |
| A Quantum Mechanical Description of the Diffusion Properties of C1-C2 Hydrocarbon Molecules in MOF-74-Mg G Degaga, A Studinger, L Valenzano-Slough | | 2022 |
| First-Principles Study of a MoS2-PbS van der Waals Heterostructure Inspired by Naturally Occurring Merelaniite. Materials 2021, 14, 1649 GD Degaga, S Kaur, R Pandey, JA Jaszczak s Note: MDPI stays neutral with regard to jurisdictional claims in published …, 2021 | | 2021 |
| Investigation of N GD Degaga, M Trought, S Nemsak, EJ Crumlin, M Seel, R Pandey, ... | | 2020 |
| Tailoring the electronic properties of Zn-BTC MOF via ligand functionalization G Degaga, R Pandey, C Gupta, L Bharadwaj ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Dissociative N2 chemisorption on Fe3O4 (001) surface: The emergence of new subsurface layers and surface relaxations G Degaga, M Seel, T Trought, K Perrine, S Nemsak, E Crumlin, R Pandey ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Diffusion processes of small hydrocarbons in MOF-74-Mg addressed via CI-NEB periodic calculations G Degaga, L Valenzano ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
| Adsorption and diffusion mechanisms of C1-C4 hydrocarbons in MOF-74-Mg/Zn: A quantum chemical study for selective gas separation applications in petroleum refining industries G Degaga, L Valenzano ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
| Bringing new efficiencies in petroleum refining processes: In silico investigation on the potential of novel porous materials for olefin and paraffin separation L Valenzano, G Degaga, K Adhikari ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014 | | 2014 |
| Adsorption of light hydrocarbons in metal-organic frameworks: Computational study at quantum chemical level GD Degaga, L Valenzano ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 247, 2014 | | 2014 |
| Increasing the Selectivity of Small Hydrocarbons: from Nanoporous Materials to the Engineering of Metal Oxide Surfaces GD Degaga, L Valenzano molecules 100, 4, 0 | | |
Ravindra PandeyMichiganTechnological UniversityVerified email at mtu.edu
