1. ScholarBank@NUS

Ryan Phillip Anthony Bettens

rp10517

Collaboration Map View Statistics Email Alert RSS Feed

Profile

Full Name
Ryan Phillip Anthony Bettens
Variants
Bettens, Ryan Phillip Anthony
Bettens, R.P.A.
 
Main Affiliation
 
Faculty
 
Email
chmbrpa@nus.edu.sg
 

Publications

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.