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关键词
出版物 JOURNAL OF CHEMICAL THEORY COMPUTATION（2）
出版时间 2019（2）
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作者

Mechanism of Graphene Formation via Detonation Synthesis: A DFTB Nanoreactor Approach

JOURNAL OF CHEMICAL THEORY COMPUTATION

LEI TY, GUO WP, LIU QY, JIAO HJ, CAO DB, TENG BT, LI YW, LIU XC, WEN XD

Assessment of Density Functional Theory in Predicting Interaction Energies between Water and Polycyclic Aromatic Hydrocarbons: from Water on Benzene to Water on Graphene

JOURNAL OF CHEMICAL THEORY COMPUTATION

AJALA AO, VOORA V, MARDIROSSIAN N, FURCHE F, PAESANI F