国家/地区 Usa（3）
关键词
出版物 JOURNAL OF CHEMICAL THEORY COMPUTATION（6）
出版时间 2013（6）
机构
作者

Accurate Surface Chemistry beyond the Generalized Gradient Approximation: Illustrations for Graphene Adatoms

JOURNAL OF CHEMICAL THEORY COMPUTATION

JANESKO BG, BARONE V, BROTHERS EN

Molecular Dynamics Simulations of Graphene Oxide Frameworks

JOURNAL OF CHEMICAL THEORY COMPUTATION

NICOLAI A, ZHU P, SUMPTER BG, MEUNIER V

Characterization of the Methane-Graphene Hydrophobic Interaction in Aqueous Solution from Ab Initio Simulations

JOURNAL OF CHEMICAL THEORY COMPUTATION

CALERO C, MARTI J, GUARDIA E, MASIA M

Crown Graphene Nanomeshes: Highly Stable Chelation-Doped Semiconducting Materials

JOURNAL OF CHEMICAL THEORY COMPUTATION

MAAROUF AA, NISTOR RA, AFZALIARDAKANI A, KURODA MA, NEWNS DM, MARTYNA GJ

Noncovalent Interactions of DNA Bases with Naphthalene and Graphene

JOURNAL OF CHEMICAL THEORY COMPUTATION

CHO Y, MIN SK, YUN J, KIM WY, TKATCHENKO A, KIM KS

More pi Electrons Make a Difference: Emergence of Many Radicals on Graphene Nanoribbons Studied by Ab Initio DMRG Theory

JOURNAL OF CHEMICAL THEORY COMPUTATION

MIZUKAMI W, KURASHIGE Y, YANAI T