eCite Digital Repository

Items where Subject is Field of Research, Chemical Sciences, Theoretical and computational chemistry, Computational chemistry

Journal Article
Jalali, M and Shiri, F and Bissember, AC and Yates, BF and Ariafard, A, Bismuth(III)-catalysed hydroalkylation of styrene with acetylacetone: a DFT-Based mechanistic study, Molecular Physics Article e2093798. ISSN 0026-8976 (2022) [Refereed Article] 
Koohkan, R and Kaykhaii, M and Sasani, M and Paull, B, Fabrication of a smartphone-based spectrophotometer and its application in monitoring concentrations of organic dyes, ACS Omega, 5, (48) pp. 31450-31455. ISSN 2470-1343 (2020) [Refereed Article]
Fuller, RO and Bettens, RPA and Collins, MA, Interpolated potential-energy surface and reaction dynamics for BH++H2, Journal of Chemical Physics, 114, (24) Article 10711. ISSN 0021-9606 (2001) [Refereed Article] 

This list was generated on Mon May 29 21:27:47 2023.