Full Name
Ryan Phillip Anthony Bettens
Bettens, Ryan Phillip Anthony
Bettens, R.P.A.
Main Affiliation


Results 1-20 of 26 (Search time: 0.004 seconds).

Issue DateTitleAuthor(s)
120-Jul-2006A new algorithm for molecular fragmentation in quantum chemical calculationsBettens, R.P.A. ; Lee, A.M. 
228-May-2013Ab initio NMR chemical-shift calculations based on the combined fragmentation methodTan, H.-J.; Bettens, R.P.A. 
31-Oct-2009Accurately reproducing ab initio electrostatic potentials with multipoles and fragmentationLe, H.-A. ; Lee, A.M. ; Bettens, R.P.A. 
42-Mar-2006Approximating coupled cluster level vibrational frequencies with composite methodsFan, Y.; Ho, J.; Bettens, R.P.A. 
528-Jun-2013Aryl-substituents moderate the nature of hydrogen bonds, N-H⋯N versus N-H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole estersCunha, A.C.; Ferreira, V.F.; Jordão, A.K.; De Souza, M.C.B.V.; Wardell, S.M.S.V.; Wardell, J.L.; Tan, P.A.; Bettens, R.P.A. ; Seth, S.K.; Tiekink, E.R.T.
615-Jan-2003Bound state potential energy surface construction: Ab initio zero-point energies and vibrationally averaged rotational constantsBettens, R.P.A. 
72008Co-crystallisation of 2,2′-dithiodibenzoic acid with the isomeric n-pyridinealdazines, n = 2, 3 and 4: Supramolecular polymers and the influence of steric factors upon aggregation patternsBroker, G.A.; Bettens, R.P.A. ; Tiekink, E.R.T.
814-Feb-2012Combined fragmentation method: A simple method for fragmentation of large moleculesLe, H.-A. ; Tan, H.-J.; Ouyang, J.F.; Bettens, R.P.A. 
911-Mar-2004Comparison of Fundamental and Harmonic Frequencies of First-Row Closed-Shell Diatomics Calculated Using Full ab Initio Methods and Composite MethodsBettens, R.P.A. 
1012-Apr-2011Distributed multipoles and energies of flexible moleculesLe, H.-A. ; Bettens, R.P.A. 
1114-Jun-2007First principles NMR calculations by fragmentationLee, A.M. ; Bettens, R.P.A. 
1213-Apr-2006Investigation of the influence of hydroxy groups on the radical scavenging ability of polyphenolsThavasi, V. ; Leong, L.P. ; Bettens, R.P.A. 
13Jul-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.
14Jan-2004Millimeter wave measurement and assignment of the rotational spectrum of 2-aminopyridineYe, E. ; Bettens, R.P.A. 
15Jan-2005Millimeter wave measurement and assignment of the rotational spectrum of anilineYe, E. ; Chandrasekaran, K.; Bettens, R.P.A. 
162005Modeling the maillard reaction: Schiff base formationLeong, L.P. ; Bettens, R.P.A. 
172015Modelling water: A lifetime enigmaOuyang, John F.; Bettens, Ryan Phillip Anthony 
186-Feb-2012Monte Carlo simulation of several biologically relevant molecules and zwitterions in waterPatuwo, M.Y.; Bettens, R.P.A. 
191-Jan-2002Multiple surface long-range interaction potentials between C (3Pj) and closed-shell moleculesBettens, R.P.A. ; Collins, M.A.
205-Dec-2007On the accurate reproduction of ab initio interaction energies between an enzyme and substrateBettens, R.P.A. ; Lee, A.M.