N. M. Cann

发表

Proceedings of the 23rd international conference on High Performance Computing Systems and Applications

Thomas Naughton, Gary W. Slater, D. J. K. Mewhort, 2009 .

Electron correlation effects in the Rydberg-like 33D and 31D states of helium-like ions

N. M. Cann, R. J. Boyd, A. Thakkar, 1993 .

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

N. M. Cann, C. E. Brion, E. Davidson, 1995 .

EMS studies of larger molecules of chemical and biochemical interest

N. M. Cann, C. E. Brion, B. Hollebone, 1996 .

Quadrupole oscillator strengths for the helium isoelectronic sequence: n 1S-m 1D, n 3S-m 3D, n 1P-m 1P, and n 3P-m 3P transitions with n <7 and m <7

N. M. Cann, A. Thakkar, 2002 .

A molecular dynamics study of chirality transfer from chiral surfaces to nearby solvent.

N. M. Cann, Shihao Wang, 2009, The Journal of chemical physics.

A molecular dynamics study of chirality transfer: The impact of a chiral solute on an achiral solvent.

N. M. Cann, Shihao Wang, 2008, The Journal of chemical physics.

Rational optimization of the Whelk-O1 chiral stationary phase using molecular dynamics simulations.

N. M. Cann, C. Zhao, S. Diemert, 2009, Journal of chromatography. A.

The docking of chiral epoxides on the Whelk-O1 stationary phase: a molecular dynamics study.

N. M. Cann, Chunfeng Zhao, 2007, Journal of chromatography. A.

Solvation of the Whelk-O1 chiral stationary phase: a molecular dynamics study.

N. M. Cann, Chunfeng Zhao, 2006, Journal of chromatography. A.

Molecular dynamics study of chiral recognition for the whelk-O1 chiral stationary phase.

N. M. Cann, C. Zhao, 2008, Analytical chemistry.

Discrimination in isotropic, nematic, and smectic phases of chiral calamitic molecules: a computer simulation study.

N. M. Cann, Y. Huh, 2004, The Journal of chemical physics.

How are completely desolvated ions produced in electrospray ionization: insights from molecular dynamics simulations.

N. M. Cann, C. Daub, Christopher D Daub, 2011, Analytical chemistry.

The photoexcitation of crystalline ice and amorphous solid water: A molecular dynamics study of outcomes at 11 K and 125 K.

N. M. Cann, Hans-Peter Loock, J. Crouse, 2015, The Journal of chemical physics.

The impact of the multipolar distribution on chiral discrimination in racemates.

N. M. Cann, I. Paci, 2004, The Journal of chemical physics.

Role of achiral interactions on discrimination in racemates

N. M. Cann, I. Paci, J. Dunford, 2003 .

The impact of molecular shape and polarity on chiral discrimination

N. M. Cann, I. Paci, 2001 .

Structure and discrimination in chiral fluids: A molecular dynamics and integral equation study

N. M. Cann, B. Das, 2000 .

Evaluation of site-site bridge diagrams for molecular fluids.

N. M. Cann, J. Vatamanu, 2004, The Journal of chemical physics.

Discrimination in racemates of small chiral molecules

N. M. Cann, J. Vatamanu, E. Cressman, 2003 .

Racemic fluids of hard molecules

Natalie M. Cann, N. M. Cann, J. Vatamanu, 2001 .

Improvement of integral equation theories for mixtures

N. M. Cann, 1999 .

Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum-rules

Natalie M. Cann, N. M. Cann, C. E. Brion, 1997 .

Polarizable and flexible model for ethanol.

N. M. Cann, Shihao Wang, 2007, The Journal of chemical physics.

On simulations of complex interfaces: molecular dynamics simulations of stationary phases.

N. M. Cann, M. Ashtari, K. Hall, 2012, The Journal of chemical physics.

Algorithms for GPU‐based molecular dynamics simulations of complex fluids: Applications to water, mixtures, and liquid crystals

Kyle Wm. Hall, Natalie M. Cann, N. M. Cann, 2015, J. Comput. Chem..

First Born differential cross-sections for electronic excitation in the helium atom

N. M. Cann, A. Thakkar, 2002 .

Charge and intracule densities in singly excited heliumlike ions

N. M. Cann, R. J. Boyd, A. Thakkar, 1993 .

Poly-proline-based chiral stationary phases: a molecular dynamics study of triproline, tetraproline, pentaproline and hexaproline interfaces.

N. M. Cann, N. Cann, M. Ashtari, 2012, Journal of chromatography. A.

Proline-based chiral stationary phases: a molecular dynamics study of the interfacial structure.

N. M. Cann, M. Ashtari, 2011, Journal of chromatography. A.

The docking of chiral analytes on proline-based chiral stationary phases: A molecular dynamics study of selectivity.

N. M. Cann, M. Ashtari, 2015, Journal of chromatography. A.

Molecular dynamics simulations to examine structure, energetics, and evaporation/condensation dynamics in small charged clusters of water or methanol containing a single monatomic ion.

N. M. Cann, C. Daub, Christopher D Daub, 2012, The journal of physical chemistry. A.

Electrokinetic flow of an aqueous electrolyte in amorphous silica nanotubes.

N. M. Cann, D. Bratko, A. Luzar, 2018, Physical chemistry chemical physics : PCCP.

Generalized oscillator strengths for electronic excitation from the 21S and 23S metastable states of the helium atom

N. M. Cann, A. Thakkar, Natalie M. Cann, 2003 .

Electron momentum spectroscopy experiments and calculations for the production of excited states of He+ and

N. M. Cann, C. E. Brion, E. Davidson, 1996 .

Integral equation theories for orientionally ordered fluids

N. M. Cann, I. Paci, 2003 .

Structure of the metal-aqueous electrolyte solution interface

N. M. Cann, M. Kinoshita, G. Patey, 1997 .

An investigation of the influence of solute size and insertion conditions on solvation thermodynamics

N. M. Cann, N. Cann, G. Patey, 1997 .

Solvent Induced Adhesion Interactions between Dichlorotriazine Films

N. M. Cann, J. Horton, C. Crudden, 2012 .

Chiral Discrimination of a Proline-Based Stationary Phase: Adhesion Forces and Calculated Selectivity Factors

N. M. Cann, J. Horton, I. Ebralidze, 2013 .

Molecular dynamics simulations of the liquid-crystal phases of 2-(4-butyloxyphenyl)-5-octyloxypyrimidine and 5-(4-butyloxyphenyl)-2-octyloxypyrimidine.

N. M. Cann, R. Pecheanu, 2010, Physical review. E, Statistical, nonlinear, and soft matter physics.

Characterization of microstructured fibre emitters: in pursuit of improved nano electrospray ionization performance.

N. M. Cann, R. Oleschuk, Xinyu Wu, 2012, The Analyst.

Solvation of phenylglycine- and leucine-derived chiral stationary phases: molecular dynamics simulation study.

N. M. Cann, S. Nita, 2008, The journal of physical chemistry. B.