A mechanistic and kinetic study on the decomposition of morpholine
- Creator: Altarawneh, Mohammednoor , Dlugogorski, Bogdan Z.
- Resource Type: journal article
- Date: 2012
Ab initio procedure for aqueous-phase pKa calculation: the acidity of nitrous acid
- Creator: Da Silva, Gabriel , Kennedy, Eric M. , Dlugogorski, Bogdan Z.
- Resource Type: journal article
- Date: 2006
Ab initio structures and stabilities of doubly charged diatomic metal helides for the first row transition metals
- Creator: Wilson, David J. D. , Marsden, Colin J. , von Nagy-Felsobuki, Ellak I.
- Resource Type: journal article
- Date: 2002
Ab initio study of bonding between nucleophilic species and the nitroso group
- Creator: Da Silva , Gabriel , Kennedy, Eric M. , Dlugogorski, Bogdan Z.
- Resource Type: journal article
- Date: 2007
Accurate Thermochemical and Kinetic Stabilities of C84 Isomers
- Creator: Waite, Simone L. , Chan, Bun , Karton, Amir , Page, Alister J.
- Resource Type: journal article
- Date: 2018
Comprehensive kinetic and thermodynamic study of the reactions of CO2(aq) and HCO3− with monoethanolamine (MEA) in aqueous solution
- Creator: Conway, William , Wang, Xiaoguang , Fernandes, Debra , Burns, Robert , Lawrance, Geoffrey , Puxty, Graeme , Maeder, Marcel
- Resource Type: journal article
- Date: 2011
Comprehensive study of the hydration and dehydration reactions of carbon dioxide in aqueous solution
- Creator: Wang, Xiaoguang , Conway, William , Burns, Robert , McCann, Nichola , Maeder, Marcel
- Resource Type: journal article
- Date: 2010
Computational study of the oxidation and decomposition of dibenzofuran under atmospheric conditions
- Creator: Altarawneh, Mohammednoor , Kennedy, Eric M. , Dlugogorski, Bogdan Z. , Mackie, John C.
- Resource Type: journal article
- Date: 2008
Interaction between tetramethylcucurbit[6]uril and some pyridine derivates
- Creator: Cong, Hang , Tao, Long-Ling , Yu, Yi-Hua , Tao, Zhu , Yang, Fan , Zhao, Yun-Jie , Xue, Sai-Feng , Lawrance, Geoffrey A. , Wei, Gang
- Resource Type: journal article
- Date: 2007
Kinetics and mechanism of carbamate formation from CO₂(aq), carbonate species, and monoethanolamine in aqueous solution
- Creator: McCann, Nichola , Phan, Duong , Wang, Xiaoguang , Conway, William , Burns, Robert , Attalla, Moetaz , Puxty, Graeme , Maeder, Marcel
- Resource Type: journal article
- Date: 2009
Kinetics of the reversible reaction of CO2(aq) and HCO 3- with sarcosine salt in aqueous solution
- Creator: Xiang, Qunyang , Fang, Mengxiang , Yu, Hai , Maeder, Marcel
- Resource Type: journal article
- Date: 2012
Kinetics of the reversible reaction of CO2(aq) with ammonia in aqueous solution
- Creator: Wang, Xiaoguang , Conway, William , Fernandes, Debra , Lawrance, Geoffrey , Burns, Robert , Puxty, Graeme , Maeder, Marcel
- Resource Type: journal article
- Date: 2011
Lewis strength determines specific-ion effects in aqueous and nonaqueous solvents
- Creator: Gregory, Kasimir P. , Webber, Grant B. , Wanless, Erica J. , Page, Alister J.
- Resource Type: journal article
- Date: 2019
Mechanism and rate of thermal decomposition of hexachlorocyclopentadiene and its importance in PCDD/F formation from the combustion of cyclodiene pesticides
- Creator: Dharmarathne, Nirmala K. , Mackie, John C. , Kennedy, Eric M. , Stockenhuber, Michael
- Resource Type: journal article
- Date: 2017
Molecular dynamics simulation of the low-temperature partial oxidation of CH4
- Creator: Page, Alister J. , Moghtaderi, Behdad
- Resource Type: journal article
- Date: 2009
On The Existence of Nonunique Equilibrium States
- Creator: Maeder, Marcel , Rasouli, Zahra , Azizi, Yousef
- Resource Type: journal article
- Date: 2023
Performance of DFT for C-₆₀ isomerization energies: a noticeable exception to Jacob's ladder
- Creator: Karton, Amir , Waite, Simone L. , Page, Alister J.
- Resource Type: journal article
- Date: 2019
Quantum chemical and kinetic study of formation of 2-chlorophenoxy radical from 2-chlorophenol: unimolecular decomposition and bimolecular reactions with H, OH, Cl, and O₂
- Creator: Altarawneh, Mohammednoor , Dlugogorski, Bogdan Z. , Kennedy, Eric M. , Mackie, John C.
- Resource Type: journal article
- Date: 2008
Quantum chemical investigation of formation of polychlorodibenzo-p-dioxins and dibenzofurans from oxidation and pyrolysis of 2-chlorophenol
- Creator: Altarawneh, Mohammednoor , Dlugogorski, Bogdan Z. , Kennedy, Eric M. , Mackie, John C.
- Resource Type: journal article
- Date: 2007
Quantum chemical study of low temperature oxidation mechanism of dibenzofuran
- Creator: Altarawneh, Mohammednoor , Dlugogorski, Bogdan Z. , Kennedy, Eric M. , Mackie, John C.
- Resource Type: journal article
- Date: 2006