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Showing results 10 to 26 of 26 < previous 
Issue DateTitleAuthor(s)
12-Apr-2011Distributed multipoles and energies of flexible moleculesLe, H.-A. ; Bettens, R.P.A. 
14-Jun-2007First principles NMR calculations by fragmentationLee, A.M. ; Bettens, R.P.A. 
13-Apr-2006Investigation of the influence of hydroxy groups on the radical scavenging ability of polyphenolsThavasi, V. ; Leong, L.P. ; Bettens, R.P.A. 
Jul-2005Millimeter and submillimeter wave rotational spectrum of pyridine in the ground and excited vibrational statesYe, E. ; Bettens, R.P.A. ; De Lucia, F.C.; Petkie, D.T.; Albert, S.
Jan-2004Millimeter wave measurement and assignment of the rotational spectrum of 2-aminopyridineYe, E. ; Bettens, R.P.A. 
Jan-2005Millimeter wave measurement and assignment of the rotational spectrum of anilineYe, E. ; Chandrasekaran, K.; Bettens, R.P.A. 
2005Modeling the maillard reaction: Schiff base formationLeong, L.P. ; Bettens, R.P.A. 
2015Modelling water: A lifetime enigmaOuyang, John F.; Bettens, Ryan Phillip Anthony 
6-Feb-2012Monte Carlo simulation of several biologically relevant molecules and zwitterions in waterPatuwo, M.Y.; Bettens, R.P.A. 
1-Jan-2002Multiple surface long-range interaction potentials between C (3Pj) and closed-shell moleculesBettens, R.P.A. ; Collins, M.A.
5-Dec-2007On the accurate reproduction of ab initio interaction energies between an enzyme and substrateBettens, R.P.A. ; Lee, A.M. 
23-Nov-2005Prevalence of the thioamide {⋯H-N-C=S}2 synthon - solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamidesSoo, Y.H.; Bettens, R.P.A. ; Dakternieks, D.; Duthie, A.; Tiekink, E.R.T.
3-Jan-2013Rate coefficient for the important interstellar radiative association between CH3 + and H2 from classical reaction dynamicsPatuwo, M.Y.; Lim, M.B.; Bettens, R.P.A. 
2-Apr-2009Temperature and solvent effects on radical scavenging ability of phenols velmurugan thavasiTavasi, V. ; Bettens, R.P.A. ; Leong, L.P. 
14-Jun-2007The conformers of hydroxyacetaldehydeFan, Y.; Leong, L.P. ; Bettens, R.P.A. 
2009The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C-H⋯π interactionsBettens, R.P.A. ; Dakternieks, D.; Duthie, A.; Kuan, F.S.; Tiekink, E.R.T.
Oct-2003The millimeter- and submillimeter-wave spectrum of the trans-trans conformer of diethyl ether (C2H5OC2H 5)Medvedev, I.; Winnewisser, M.; De Lucia, F.C.; Herbst, E.; Yi, E. ; Leong, L.P. ; Bettens, R.P.A. ; BiałKowska-Jaworska, E.; Desyatnyk, O.; Pszczółkowski, L.; Kisiel, Z.