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Faculty - Noteworthy

PUBLICATIONS

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.


CONFERENCES

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


NOTEWORTHY

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