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Natalie M. Cann - Publications

Affiliations: 
Queen's University, Canada, Kingston, Ontario, Canada 
Area:
Physical Chemistry
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36 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Daub CD, Cann NM, Bratko D, Luzar A. Electrokinetic flow of an aqueous electrolyte in amorphous silica nanotubes. Physical Chemistry Chemical Physics : Pccp. PMID 30397698 DOI: 10.1039/C8Cp03791D  0.344
2015 Ashtari M, Cann NM. The docking of chiral analytes on proline-based chiral stationary phases: A molecular dynamics study of selectivity. Journal of Chromatography. A. 1409: 89-107. PMID 26220608 DOI: 10.1016/J.Chroma.2015.07.027  0.418
2015 Crouse J, Loock HP, Cann NM. The photoexcitation of crystalline ice and amorphous solid water: A molecular dynamics study of outcomes at 11 K and 125 K. The Journal of Chemical Physics. 143: 034502. PMID 26203031 DOI: 10.1063/1.4926666  0.309
2015 Kazachenko S, Giovinazzo M, Hall KW, Cann NM. Algorithms for GPU-based molecular dynamics simulations of complex fluids: Applications to water, mixtures, and liquid crystals. Journal of Computational Chemistry. 36: 1787-804. PMID 26174435 DOI: 10.1002/Jcc.24000  0.358
2013 Arjumand R, Ebralidze II, Ashtari M, Stryuk J, Cann NM, Horton JH. Chiral Discrimination of a Proline-Based Stationary Phase: Adhesion Forces and Calculated Selectivity Factors The Journal of Physical Chemistry C. 117: 4131-4140. DOI: 10.1021/Jp312478N  0.338
2012 Ashtari M, Cann NM. Poly-proline-based chiral stationary phases: a molecular dynamics study of triproline, tetraproline, pentaproline and hexaproline interfaces. Journal of Chromatography. A. 1265: 70-87. PMID 23068764 DOI: 10.1016/J.Chroma.2012.09.075  0.439
2012 Daub CD, Cann NM. Molecular dynamics simulations to examine structure, energetics, and evaporation/condensation dynamics in small charged clusters of water or methanol containing a single monatomic ion. The Journal of Physical Chemistry. A. 116: 10488-95. PMID 23030044 DOI: 10.1021/Jp308217Q  0.302
2012 Wu X, Oleschuk RD, Cann NM. Characterization of microstructured fibre emitters: in pursuit of improved nano electrospray ionization performance. The Analyst. 137: 4150-61. PMID 22706328 DOI: 10.1039/C2An35249D  0.318
2012 Hall K, Ashtari M, Cann NM. On simulations of complex interfaces: molecular dynamics simulations of stationary phases. The Journal of Chemical Physics. 136: 114705. PMID 22443788 DOI: 10.1063/1.3693516  0.399
2012 Daub CD, Cann NM. Manipulation of Liquid Crystals by an Orienting Force in MD Simulations Ferroelectrics. 431: 99-107. DOI: 10.1080/00150193.2012.684641  0.338
2011 Daub CD, Cann NM. How are completely desolvated ions produced in electrospray ionization: insights from molecular dynamics simulations. Analytical Chemistry. 83: 8372-6. PMID 22017403 DOI: 10.1021/Ac202103P  0.363
2011 Ashtari M, Cann NM. Proline-based chiral stationary phases: a molecular dynamics study of the interfacial structure. Journal of Chromatography. A. 1218: 6331-47. PMID 21798547 DOI: 10.1016/J.Chroma.2011.06.096  0.469
2009 Zhao CF, Diemert S, Cann NM. Rational optimization of the Whelk-O1 chiral stationary phase using molecular dynamics simulations. Journal of Chromatography. A. 1216: 5968-78. PMID 19586635 DOI: 10.1016/J.Chroma.2009.06.041  0.428
2009 Wang S, Cann NM. A molecular dynamics study of chirality transfer from chiral surfaces to nearby solvent. The Journal of Chemical Physics. 130: 244701. PMID 19566168 DOI: 10.1063/1.3152332  0.449
2008 Nita S, Cann NM. Solvation of phenylglycine- and leucine-derived chiral stationary phases: molecular dynamics simulation study. The Journal of Physical Chemistry. B. 112: 13022-37. PMID 18811188 DOI: 10.1021/Jp710392K  0.446
2008 Wang S, Cann NM. A molecular dynamics study of chirality transfer: The impact of a chiral solute on an achiral solvent. The Journal of Chemical Physics. 129: 054507. PMID 18698914 DOI: 10.1063/1.2958911  0.392
2008 Zhao CF, Cann NM. Molecular dynamics study of chiral recognition for the whelk-O1 chiral stationary phase. Analytical Chemistry. 80: 2426-38. PMID 18321129 DOI: 10.1021/ac702126y  0.324
2007 Wang S, Cann NM. Polarizable and flexible model for ethanol. The Journal of Chemical Physics. 126: 214502. PMID 17567203 DOI: 10.1063/1.2730837  0.35
2007 Zhao C, Cann NM. The docking of chiral epoxides on the Whelk-O1 stationary phase: a molecular dynamics study. Journal of Chromatography. A. 1149: 197-218. PMID 17433341 DOI: 10.1016/J.Chroma.2007.03.073  0.434
2006 Zhao C, Cann NM. Solvation of the Whelk-O1 chiral stationary phase: a molecular dynamics study. Journal of Chromatography. A. 1131: 110-29. PMID 16950326 DOI: 10.1016/J.Chroma.2006.07.085  0.432
2006 Nita S, Horton JH, Cann NM. Solvation of the N-(1-Phenylethyl)-N'-[3-(triethoxysilyl)propyl]-urea chiral stationary phase in mixed alcohol/water solvents. The Journal of Physical Chemistry. B. 110: 9511-9. PMID 16686497 DOI: 10.1021/Jp057204S  0.371
2004 Vatamanu J, Cann NM. Evaluation of site-site bridge diagrams for molecular fluids. The Journal of Chemical Physics. 121: 6922-34. PMID 15473751 DOI: 10.1063/1.1789131  0.668
2004 Paci I, Cann NM. The impact of the multipolar distribution on chiral discrimination in racemates. The Journal of Chemical Physics. 120: 4816-28. PMID 15267342 DOI: 10.1063/1.1645780  0.671
2004 Huh Y, Cann NM. Discrimination in isotropic, nematic, and smectic phases of chiral calamitic molecules: A computer simulation study Journal of Chemical Physics. 121: 10299-10308. DOI: 10.1063/1.1809593  0.398
2004 Nita S, Cann NM, Horton JH. Structure, Selectivity, and Solvation of a Model Chiral Stationary Phase The Journal of Physical Chemistry B. 108: 3512-3522. DOI: 10.1021/Jp0365615  0.452
2003 VATAMANU J, CRESSMAN E, CANN NM. Discrimination in racemates of small chiral molecules Molecular Physics. 101: 3085-3102. DOI: 10.1080/00268970310001614237  0.498
2003 Paci I, Dunford J, Cann NM. Role of achiral interactions on discrimination in racemates The Journal of Chemical Physics. 118: 7519. DOI: 10.1063/1.1562609  0.69
2001 Paci I, Cann NM. The impact of molecular shape and polarity on chiral discrimination The Journal of Chemical Physics. 115: 8489-8505. DOI: 10.1063/1.1401826  0.688
2001 Vatamanu J, Cann NM. Racemic fluids of hard molecules The Journal of Chemical Physics. 114: 7993-8007. DOI: 10.1063/1.1359184  0.447
2000 Cann NM, Das B. Structure and discrimination in chiral fluids: A molecular dynamics and integral equation study The Journal of Chemical Physics. 113: 2369-2384. DOI: 10.1063/1.482052  0.5
1999 Cann NM. Improvement of integral equation theories for mixtures The Journal of Chemical Physics. 110: 11466-11483. DOI: 10.1063/1.479088  0.385
1997 Bérard DR, Kinoshita M, Cann NM, Patey GN. Structure of the metal-aqueous electrolyte solution interface The Journal of Chemical Physics. 107: 4719-4728. DOI: 10.1063/1.474833  0.343
1997 Cann NM, Patey GN. An investigation of the influence of solute size and insertion conditions on solvation thermodynamics The Journal of Chemical Physics. 106: 8165-8195. DOI: 10.1063/1.473822  0.343
1997 Olney TN, Cann NM, Cooper G, Brion CE. Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum-rules Chemical Physics. 223: 59-98. DOI: 10.1016/S0301-0104(97)00145-6  0.329
1996 Neville JJ, Zheng Y, Hollebone BP, Cann NM, Brion CE, Kim CK, Wolfe S. EMS studies of larger molecules of chemical and biochemical interest Canadian Journal of Physics. 74: 773-781. DOI: 10.1139/P96-111  0.397
1995 Rolke J, Cann N, Zheng Y, Hollebone BP, Brion CE, Wang YA, Davidson ER. Momentum profiles for open shell molecules: studies of the HOMOs of NO, O2 and NO2 by electron momentum spectroscopy and SCF, post-Hartree-Fock and DFT calculations Chemical Physics. 201: 1-21. DOI: 10.1016/0301-0104(95)00241-2  0.4
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