Special issue "molecular engineering for electrochemical power sources"

by Manzhos, S
Published 2020

Defects in alpha and gamma crystalline nylon6: A computational study

by Arabnejad, S, Manzhos, S
Published 2020

Understanding the difference in cohesive energies between alpha and beta tin in DFT calculations

by Legrain, F, Manzhos, S
Published 2020

Inverse multiquadratic functions as the basis for the rectangular collocation method to solve the vibrational Schr”dinger equation

by Kamath, A, Manzhos, S
Published 2020

Lithium and sodium storage on tetracyanoethylene (TCNE) and TCNE-(doped)-graphene complexes: A computational study

by Chen Y., Manzhos S.
Published 2016

Highly accurate local pseudopotentials of Li, Na, and Mg for orbital free density functional theory

by Legrain F., Manzhos, Sergei
Published 2016

Aluminum doping improves the energetics of lithium, sodium, and magnesium storage in silicon: A first-principles study

by Legrain Fleur, Manzhos Sergei
Published 2016

Stability of charges in titanium compounds and charge transfer to oxygen in titanium dioxide

by Koch, D., Golub, P., Manzhos, S.
Published 2020

A comparative Density Functional Theory and Density Functional Tight Binding study of phases of nitrogen including a high energy density material N8

by Capel, N, Bharania, D, Manzhos, S
Published 2020

Effect of isotopic substitution on elementary processes in dye-sensitized solar cells: Deuterated amino-phenyl acid dyes on TiO 2

by Manzhos, S, Segawa, H, Yamashita, K
Published 2020

Insertion energetics of lithium, sodium, and magnesium in crystalline and amorphous titanium dioxide: A comparative first-principles study

by Legrain Fleur, Malyi Oleksandr, Manzhos Sergei
Published 2016

A computational study of adsorption and vibrations of UF6 on graphene derivatives: Conditions for 2D enrichment

by Koh, Yangwei, Westerman, Kenneth, Manzhos, Sergei
Published 2016

Insertion of mono- vs. Bi- vs. trivalent atoms in prospective active electrode materials for electrochemical batteries: An ab initio perspective

by Kulish, V.V, Koch, D, Manzhos, S
Published 2020

Understanding doping strategies in the design of organic electrode materials for Li and Na ion batteries: An electronic structure perspective

by Lüder, J, Cheow, M.H, Manzhos, S
Published 2020

Lithium attachment to C60 and nitrogen- and boron-doped C60: A mechanistic study

by Chen, Y., Cho, C.-R., Manzhos, S.
Published 2022

Dopant–dopant interactions in beryllium doped indium gallium arsenide: An ab initio study

by Kulish, Vadym, Liu, Wenyuan, Benistant, Francis, Manzhos, Sergei
Published 2018

Computational design of small phenothiazine dyes for dye-sensitized solar cells by functionalizations affecting the thiophene unit

by Tu Wei Han, Tan Yi Yin, Rege Omkar, Manzhos Sergei
Published 2016

A computational study of the insertion of Li, Na, and Mg atoms into Si(111) nanosheets

by Manzhos, Sergei, Kulish, Vadym V., Tan, Teck L., Malyi, Oleksandr I.
Published 2013

Effect of a weak magnetic field on ductile–brittle transition in micro-cutting of single-crystal calcium fluoride

by Guo, Y, Lee, YJ, Zhang, Y, Sorkin, A, Manzhos, S, Wang, H
Published 2022

Applying a Smolyak Collocation Method to Cl2CO

by Eduardo Castro, Gustavo Avila, Sergei Manzhos, Jay Agarwal, Fritz Schaefer, Tucker Carrington
Published 2018