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Faculty - Noteworthy


1.         Sztaray, B.; Voronova, K.; Torma, K. G.; Covert, K. J.; Bodi, A.; Hemberger, P.; Gerber, T.; Osborn, D. L. J. Chem. Phys. 2017, 147, 013944/1-013944/10.
2.         Grishina, G. V.; Veselov, I. S.; Safronova, E. N.; Mazur, D. M.; Samoshin, V. V. Tetrahedron Lett. 2017, 58, 2019-2022.
3.         Liu, W.; Wang, S.; Dotsenko, I. A.; Samoshin, V. V.; Xue, L. J. Inorg. Biochem. 2017, 173, 12-20.
4.         Samoshin, V. V.; Zheng, Y.; Liu, X. J. Phys. Org. Chem. 2017, Ahead of Print.
5.         Tsai, Y.-J.; Lee, U. H.; Zhao, Q. Polyhedron 2017, 124, 206-214.
6.         Charnawskas, J. C.; Alpert, P. A.; Lambe, A. T.; Berkemeier, T.; O'Brien, R. E.; Massoli, P.; Onasch, T. B.; Shiraiwa, M.; Moffet, R. C.; Gilles, M. K.; Davidovits, P.; Worsnop, D. R.; Knopf, D. A. Faraday Discuss. 2017, Ahead of Print.


The National meetings of the American Chemical Society in San Francisco and Washington, D.C. included multiple papers from the chemistry department.

1.       Feng, C.; Pastor, M. B.; Zhao, Q. Theoretical computations of tunable bimetallic systems, 2017, INOR-970.
2.       Hackbusch, S.; Watson, A.; Do, S.; Franz, A. Application of newly developed Karplus equations for C(sp2)-O-C-H dihedral angles to the conformational analysis of ester linked carbohydrate derivatives, 2017, CARB-52.
3.       Huey, M.; Nguyen, B.; Ruyonga, M. R.; Samoshina, N. M.; Samoshin, V. V. Exploration of trans-2-(1,2,3-triazolyl)-cyclohexanols as potential inhibitors for fungal glycosidases, 2017, CHED-1180.
4.       Liu, J.; Wang, L.-P. Using molecular dynamics simulations to investigate novel reaction events: A case study with iron carbonyls, 2017, CHED-895.
5.       Liu, Y.; Dutoi, A. D. Exciton coupled-cluster theory for large-scale electronic structure calculations: Test application on Ben clusters, 2017, PHYS-272.
6.       Pastor, M. B.; Betley, T.; Zhao, Q. Synthesis and reactivity of weakly interacting dicopper systems, 2017, INOR-1157.
7.       Ruyonga, M. R.; Samoshin, V. V. Exploration of trans-2-(1,2,3-triazolyl)-cyclohexanols as potential conformational switches, 2017, ORGN-565.
8.       van Beek, C.; Beltran-Sanchez, M.; Samoshina, N. M.; Samoshin, V. V. pH-induced conformational switch in novel amide-based amphiphiles and their potential application in liposomes for targeted drug delivery, 2017, COLL-256.
9.       Wang, S.; Liu, W.; Dotsenko, I. A.; Samoshin, V. V.; Xue, L. Evaluation of 5-substituted 1,10-phenanthroline and nickel complexes as G4 ligands and telomerase inhibitors, 2017, MEDI-334.
10.      Watson, A.; Do, S.; Franz, A. New Karplus Equations for α-1,6-linked Glycans, 2017, CARB-53


Dr. A. Dutoi will participate in the Visiting Faculty Program at Lawrence Berkeley Laboratory (DOE).