Journal of chemical theory and computation - Research Database, The University of York

Journal of chemical theory and computation

ISSNs: 1549-9618

American Chemical Society

Scopus rating (2021): CiteScore 10 SJR 1.619 SNIP 1.475

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2018
First-Principles Modeling of Polaron Formation in TiO₂ Polymorphs
Elmaslmane, A. R., Watkins, M. B. & McKenna, K. P., 10 Jul 2018
Article in Journal of chemical theory and computation
DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
Probert, M. I. J., Womack, J., Anton, L., Dziedzic, J., Hasnip, P. J. & Skylaris, C-K., 15 Feb 2018
Article in Journal of chemical theory and computation
2017
Molecular interpretation of preferential interactions in protein solvation: a solvent-shell perspective by means of minimum-distance distribution functions
Martinez, L. & Shimizu, S., 12 Dec 2017
Article in Journal of chemical theory and computation
2016
Exploring Chemical Bonds through Variations in Magnetic Shielding
Karadakov, P. B. & Horner, K. E., 2016
Article in Journal of chemical theory and computation
2015
Comparison of molecular contours for measuring writhe in atomistic supercoiled DNA
Sutthibutpong, T., Harris, S. A. & Noy, A., 2015
Article in Journal of chemical theory and computation
2012
Characterization of the Ligand Receptor Encounter Complex and Its Potential for in Silico Kinetics-Based Drug Development
ElSawy, K. M., Twarock, R., Lane, D. P., Verma, C. S. & Caves, L. S. D., 10 Jan 2012
Article in Journal of chemical theory and computation

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