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Publications

(2008 – 2017):

2017

I.L. Rogers, K.J. Naidoo.  Journal of Computational Chemistry, 2017, 38, 20, 1789-1798. DOI: 10.1002/jcc.24820 

Z.Qin, J.T. Munnoch, R. Devine, N.A. Holmes, R.F. Seipke, K.A. Wilkinson, B.Wilkinson and M.I. Hutchings.  Chemical Science Journal ,    2017,8, 3218-3227  DOI: 10.1039/C6SC04265A 

2016

W. Crous, K.J. Naidoo.  Bioorganic & Medicinal Chemistry Journal, 2016, 24, 20, 4998-5005. DOI: 10.1016/j.bmc.2016.08.042

I.L. Rogers, K.J. Naidoo. ACS Catalysis Journal, 2016, 6, 10, 6384-6392.  DOI: 10.1021/acscatal.6b01522

C.B. Barnett, K.F. Aoki-Kinoshita, K.J. Naidoo.  Bioinformatics Journal, 2016, 32, 19, 3005-3011. DOI: 10.1093/bioinformatics/btw341

D. Kuter, V. Streltsov, N. Davydova, G.A. Venter, K.J. Naidoo, T.J. Egan.  Journal of Inorganic Biochemistry, 2016, 154, 114-125.  DOI: 10.1016/j.jinorgbio.2015.06.010

J. Ashkani, K.J. Naidoo.  Scientific Reports, 2016, 6, DOI: 10.1038/srep26451 

R.E. Cozett, G.A. Venter,  M.R. Gokada, and R. Hunter.  Organic & Biomolecular Chemistry Journal, 2016, 14, 10914-10925.  DOI: 10.1039/C6OB01991A 

L. Mongalo, A.S. Lopis, G.A. Venter.  Journal of Non-Crystalline Solids, 2016, 452, 194-202.  DOI 10.1016/j.jnoncrysol.2016.08.042 2015

I. Rogers, K.J. Naidoo. Journal of Physical Chemistry B, 119, 2015 1192-1201. DOI: 10.1021/jp506824r

K.D. Fernandes, C.A. Renison and K.J. Naidoo. Journal of Computational Chemistry, 36, 2015 1399-1409. DOI: 10.1002/jcc.23936

C.A. Renison, K.D. Fernandes and K.J. Naidoo. Journal of Computational Chemistry, 36, 2015 1410-1419. DOI: 10.1002/jcc23938

2014

U. Hendricks, W. Crous and K.J. Naidoo. J. of Chem Information and Modeling, 54, 2014 3362-3372. DOI: 10.1021/ci500375a I

W. Crous, M.J. Field, K.J. Naidoo, J. Chem Theory Comput., 10, 2014, 1727-1738. DOI: 10.1021/ct400903n

K. Govender, J. Gao, K.J. Naidoo, J Chem Theory Comput., 10, 2014, 4694-4707. DOI: 10.1021/ct500372s

K.K. Govender, K.J. Naidoo, J. Chem Theory Comput., 10 2014, 4708-4717. DOI: 10.1021/ct500373p

I.L. Rogers, K.J. Naidoo, Journal of Physical Chemistry B, 2014, DOI: 10.1021/jp5068244r

D. Kuter, V. Streltsov, N Davydova, G.A. Venter, K.J. Naidoo, T.J. Egan, Inorg. Chem., 2014, DOI: 10.2021/ic500454d

2013

Leah C. Matsinha, Peter Malatji, Alan T. Hutton, Gerhard A. Venter, Selwyn F. Mapolie and Gregory S. Smith, European Journal of Inorganic Chemistry, 2013, 4318-4328. DOI: 10.1002/ejic.201300503

Ian L. Rogers, David W. Gammon, Kevin J. Naidoo, Carbohydrate Research, 2013, 371, 52-60. DOI: 10.1016/j.carres.2013.02.001

P. Khalili, C.B. Barnett, K.J. Naidoo. J. of Chemical Physics, 2013, 138, 184110 – 184117. DOI: 10.1063/1.4803698

C.B. Barnett and K.J. Naidoo. J. Phys. Chem B., 2013, 117, 6019-6026. DOI: 10.1021/jp3109013

2012

M. R. Gamieldien, J. Strumpfer and K.J. Naidoo. J. Phys. Chem B. 2012, 116, 324-331. DOI: 10.1021/jp2077159

D.A. Lamprecht, N.O. Muneri, H. Eastwood, K.J. Naidoo, E. Strauss and A. Jardine. Organic & Biomolecular Chemistry. 2012, 10, 5878-5288. DOI: 10.1039/c2ob25429h

K.J. Naidoo. Phys Chem Chem Phys. 2012, 14, 9026-9036. DOI: 10.1039/C2CP23802K

D. Kuter, G.A. Venter, K.J. Naidoo and T.J. Egan. Inorganic Chemistry. 2012, 51, 10233-10250. DOI: 10.1039/C2CP23802K

2011

Boris-Marko Kukovec, Gerhard A. Venter and Clive L. Oliver. Crystal Growth & Design. 2011. 12, 456-465. DOI: 10.1021/cg201285g

C. B. Barnett, K. A. Wilkinson, and K. J. Naidoo. JACS. 2011. 133, 19474-19482. DOI: 10.1021/ja206842j

K. J. Naidoo. Science China. 2011. DOI: 10.1007/s11426-011-4423-7

K. A. Wilkinson, P. Sherwood, M. F. Guest, K. J. Naidoo. J. Comput. Chem. 2011, 32(10),2313-2318. DOI: 10.1002/jcc.21815

R. P. Matthews, G. A. Venter, K. J. Naidoo. J. Phys. Chem. B. 2011, 115 (5) , 1045-1055. DOI: 10.1021/jp109976p

A. Boscaino, K. J. Naidoo. J. Phys. Chem. B. 2011,115 (11), 2608-2616. DOI: 10.1021/jp110248j

K Feher, R.P Matthews, K.E. Kover, K.J. Naidoo, L. Szilagyi. Carbohydrate Research. 2011, 346 2612-2621. DOI: 10.1016/j.carres.2011.07.013

2010

J. Strumpfer, K. J. Naidoo. J. Comput. Chem. 2010, 31 (2), 308-316. DOI: 10.1002/jcc.21317

M. R. Gamieldien, I. Maestre, C. Jaime, K. J. Naidoo. Chem. Phys. Chem. 2010, 11 (2), 452-459. DOI: 10.1002/cphc.200900541

R. P. Matthews, K. J. Naidoo. J. Phys. Chem. B. 2010, 114 (21), 7286-7293. DOI: 10.1021/jp911823x

C. B. Barnett, K. Wilkinson, K. J. Naidoo. J. Am. Chem. Soc. 2010, 132 (37), 12800–12803. DOI: 10.1021/ja103766w

C. B. Barnett, K. J. Naidoo. J. Phys. Chem. B. 2010, 114 (51), 17142-17154. DOI: 10.1021/jp107620h

2009

C. B. Barnett, K. J. Naidoo. Mol. Phys. 2009, 107, 1243–1250. DOI: 10.1080/00268970902852608

C. B. Barnett, K. J. Naidoo, In Theory and Applications of Computational Chemistry; Wei, D.-Q., Ed. American Institute of Physics: Shanghai, China, 2009, 1102, 214-218.

2008

G. A. Venter, R. P. Matthews, K. J. Naidoo. Molecular Simulation. 2008, 34 (4), 391-401. DOI: 10.1080/08927020701765621

K. J. Naidoo, M. R. Gamieldien, J. Y.-J. Chen, G. Widmalm, A. Maliniak. J. Phys. Chem. B. 2008, 112, 15151–15157. DOI: 10.1021/jp805174y

C. B. Barnett, K. J. Naidoo. J. Phys. Chem. B. 2008, 112, 15450–15459. DOI: 10.1021/jp8067409