Browse "RIMS Collection" by Subject DFT
Showing results 1 to 9 of 9
| A sensitive non-enzymatic glucose sensor based on MgO entangled nanosheets decorated with CdS nanoparticles: Experimental and DFT study Ullah, Habib; Ahmad, Rashid; Khan, Adnan Ali; Khaliq, Nilem; Khan, Maaz; Ali, Ghafar; Karim, Shafqat; et al, JOURNAL OF MOLECULAR LIQUIDS, v.360, 2022-08 |
| Advancements in High-Throughput Screening and Machine Learning Design for 2D Ferromagnetism: A Comprehensive Review Xin, Chao; Song, Bingqian; Jin, Guangyong; Song, Yongli; Pan, Feng, ADVANCED THEORY AND SIMULATIONS, v.6, no.12, 2023-12 |
Evaluation of anti-corrosion performance of an expired semi synthetic antibiotic cefdinir for mild steel in 1 M HCl medium: An experimental and theoretical study Singh, Ashish Kumar; Chugh, Bhawna; Saha, Sourav Kr.; Banerjee, Priyabrata; Ebenso, Eno E.; Thakur, Sanjeeve; Pani, Balaram, RESULTS IN PHYSICS, v.14, 2019-09 |
| Exploring the potential role of pyrazoline derivatives in corrosion inhibition of mild steel in hydrochloric acid solution: Insights from experimental and computational studies Lgaz, Hassane; Saha, Sourav Kr.; Chaouiki, Abdelkarim; Bhat, K. Subrahmanya; Salghi, Rachid; Shubhalaxmi; Banerjee, Priyabrata; et al, CONSTRUCTION AND BUILDING MATERIALS, v.233, 2020-02 |
| External stimulus controlled recombination of hydrogen in photochromic dithienylethene frustrated lewis pairs Fazl-i-Sattar; Ahmed, Arsalan; Ullah, Habib; Ullah, Zakir; Tariq, Muhammad; Ayub, Khurshid, INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, v.44, no.59, pp.31141 - 31152, 2019-11 |
| First principle study of half metallic ferromagnetism and transport properties of spinel's ZnFe2(S/Se)(4) for spintronic AlObaid, Abeer A.; Al-Muhimeed, Tahani, I; Rahim, Abdur; Nazir, Ghazanfar; Bouzgarrou, S.; Mera, Abeer; Aljameel, A., I; et al, PHYSICA SCRIPTA, v.96, no.12, 2021-12 |
| Sensing applications of GeBi nanosheet for environmentally toxic/non-toxic gases: Insights from density functional theory calculations Kumar, Vipin; Rajput, Kaptan; Roy, Debesh R., APPLIED SURFACE SCIENCE, v.606, 2022-12 |
| Syntheses, X-ray crystal structures of two new Zn(II)-dicyanamide complexes derived from H(2)vanen-type compartmental ligands: Investigation of thermal, photoluminescence, in vitro cytotoxic effect and DFT-TDDFT studies Majumdar, Dhrubajyoti; Das, Sourav; Thomas, Renjith; Ullah, Zakir; Sreejith, S. S.; Das, Dhiraj; Shukla, Pooja; et al, INORGANICA CHIMICA ACTA, v.492, pp.221 - 234, 2019-06 |
| Synthesis of multi donating sites grafted on graphene oxide nanosheets: Anti-corrosion study for mild steel in 1 M HCl with DFT calculations Haque, Jiyaul; Saleh, Tawfik A.; Murmu, Manilal; Chauhan, Dheeraj S.; Nik, W. B. Wan; Banerjee, Priyabrata; Quraishi, Mumtaz A., JOURNAL OF MOLECULAR LIQUIDS, v.389, 2023-11 |
Discover
Type
- 4,829 Article
- 3,515 Conference
- 1,493 Patent
- 2 Thesis(Master)
Open Access
- 223 OA Article
Date issued
- 1,338 2020 - 2024
- 2,945 2010 - 2019
- 2,339 2000 - 2009
- 1,846 1990 - 1999
- 579 1980 - 1989
- 3 1964 - 1969