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Issue Date
Title
Author(s)
2006
Rotational Energy Distributions of Benzene Liberated from Aqueous Liquid Microjets: A Comparison between Evaporation and Infrared Desorption
Maselli, O.
;
Gascooke, J.
;
Kobelt, S.
;
Metha, G.
;
Buntine, M.
2004
The lowest-lying excited singlet and triplet electronic states of propanal: an ab initio molecular orbital investigation of the potential energy surfaces
Buntine, M.
;
Lee, J.
;
Metha, G.
2004
Ab initio calculations of stationary points on the benzene-Ar and p-difluorobenzene-Ar potential energy surfaces: barriers to bound orbiting states
Moulds, R.
;
Buntine, M.
;
Lawrance, W.
2001
Reaction pathways of singlet silylene and singlet germylene with water, methanol, ethanol, dimethyl ether, and trifluoromethanol: An ab initio molecular orbital study
Heaven, M.
;
Metha, G.
;
Buntine, M.
2008
Associative versus dissociative binding of CO to 4d transition metal trimers: A density functional study
Addicoat, M.
;
Buntine, M.
;
Yates, B.
;
Metha, G.
2003
Supramolecular Sn•••Cl associations in diorganotin dichlorides and their influence on molecular geometry as studied by ab initio molecular orbital calculations
Buntine, M.
;
Kosovel, F.
;
Tiekink, E.
2004
The emission spectroscopy of C2 produced in a hydrocarbon/oxygen flame: An APCELL experiment
Buntine, M.
;
Kable, S.
;
Metha, G.
2007
From APCELL to ACELL and beyond - Expanding a multi-institution project for laboratory-based teaching and learning
Jamie, I.
;
Read, J.
;
Barrie, S.
;
Bucat, R.
;
Buntine, M.
;
Crisp, G.
;
George, A.
;
Kable, S.
2007
BFW: A density functional for transition metal clusters
Addicoat, M.
;
Buntine, M.
;
Metha, G.
;
Gilbert, A.
;
Gill, P.
2004
Photoionization of Nb₃CO and Nb₃ (CO)₂: is CO molecularly or dissociatively adsorbed on niobium?
Pederson, D.
;
Rayner, D.
;
Simard, B.
;
Addicoat, M.
;
Buntine, M.
;
Metha, G.
;
Fielicke, A.
Discover
Author
17
Metha, G.
7
Lincoln, S.
6
Addicoat, M.
5
Wainwright, K.
4
Gascooke, J.
4
Heaven, M.
4
Tiekink, E.
3
Lawrance, W.
2
Bowie, J.
2
Bruce, M.
.
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Subject
1
3-Hydroxyflavones
1
3-Hydroxythioflavones
1
alkyl aldehydes
1
Binding Sites
1
Carbon Monoxide
1
Computer Simulation
1
Conformations
1
conformer
1
Cyanocarbon
1
DFT
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