海量图书期刊资源,随时随地畅享阅读乐趣
Study of magnetism in nano structures of graphene and functionalized graphene: a first principle studyKumar, N; Sharma, M; Sharma, J D; Ahluwalia, P K · Indian Journal of Physics · 2015
Engineering the work function of armchair graphene nanoribbons using strain and functional species: a first principles studyPeng, Xihong; Tang, Fu; Copple, Andrew · 2012
Surface work function of chemically derived graphene: A first-principles studyJiao, N.; He, Chaoyu; Zhou, P.; Zhang, C.X.; Xiao, H.P.; Sun, L.Z. · Physics Letters A · 2013
Adsorption of nucleobases on 2D transition-metal dichalcogenides and graphene sheet: a first principles density functional theory studyVovusha, Hakkim; Sanyal, Biplab · RSC Adv. · 2015
A first-principles study on uniaxial strain effects of nonplanar oxygen-functionalized armchair graphene nanoribbonsQu, Li-Hua; Zhang, Jian-Min; Xu, Ke-Wei; Ji, Vincent · Journal of Alloys and Compounds · 2015
Design and adjustment of the graphene work function via size, modification, defects, and doping: a first-principle theory studyYang, Ning; Yang, Daoguo; Chen, Liangbiao; Liu, Dongjing; Cai, Miao; Fan, Xuejun · Nanoscale Research Letters · 2017
On the diversity in the thermal transport properties of graphene: A first-principles-benchmark study testing different exchange-correlation functionalsQin, Guangzhao; Qin, Zhenzhen; Wang, Huimin; Hu, Ming · Computational Materials Science · 2018
Steered transition path samplingGuttenberg, Nicholas; Dinner, Aaron R.; Weare, Jonathan · The Journal of Chemical Physics · 2012
Mixing normal and anomalous diffusionGeyer, Tihamér · The Journal of Chemical Physics · 2012
Perspective: Supercooled liquids and glassesEdiger, M. D.; Harrowell, Peter · The Journal of Chemical Physics · 2012
Microwave Absorption in Compressed CO2Ho, W. · The Journal of Chemical Physics · 1966
Perspective: Nonadiabatic dynamics theoryTully, John C. · The Journal of Chemical Physics · 2012
Thermodynamics of Crystals and MeltingBorn, Max · The Journal of Chemical Physics · 1939
Magnetic Equivalence of Nuclear SpinsMusher, J. I. · The Journal of Chemical Physics · 1967
Equation of State for Hard SpheresThiele, Everett · The Journal of Chemical Physics · 1963