First-principles thermochemical properties of hexagonal and cubic phase BaMnO3
- Creator: Ghose, Krishna K. , Bayon, Alicia , Page, Alister J.
- Resource Type: journal article
- Date: 2022
Thermochemical stabilities of giant fullerenes using density functional tight binding theory and isodesmic-type reactions
- Creator: Waite, Simone L. , Karton, Amir , Chan, Bun , Page, Alister J.
- Resource Type: journal article
- Date: 2021
Electronic structure and high-temperature thermochemistry of BaZrO₃₋δ perovskite from first-principles calculations
- Creator: Ghose, Krishna K. , Bayon, Alicia , Hinkley, Jim , Page, Alister J.
- Resource Type: journal article
- Date: 2019
Friedman method kinetic analysis of CaO-based sorbent for high-temperature thermochemical energy storage
- Creator: Fedunik-Hofman, Larissa , Bayon, Alicia , Hinkley, James , Lipiński, Wojciech , Donne, Scott W.
- Resource Type: journal article
- Date: 2019
Quantum chemical investigation of the growth and chemistry of graphene
- Creator: Mitchell, Izaac
- Resource Type: thesis
- Date: 2019
Air pollutants formed in thermal decomposition of folpet fungicide under oxidative conditions
- Creator: Chen, Kai , Mackie, John C. , Kennedy, Eric M. , Dlugogorski, Bogdan Z.
- Resource Type: journal article
- Date: 2011
Ab initio and DFT cation affinity study of selected neurosteroids
- Creator: Morrison, Anthony A. , Paul, Mitchell C. , Parsons, Carl H. , Calford, Mike B. , von Nagy-Felsobuki, Ellak I.
- Resource Type: journal article
- Date: 2005