2014•Journal of Molecular ModelingRequires access

Reaction of Np atom with H2O in the gas phase: reaction mechanisms and ab initio molecular dynamics study

Peng Li, Wenxia Niu, Tao Gao, Hongyan Wang

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Key concepts: Chemistry, Kinetic energy, Molecular dynamics, Ab initio, Potential energy surface, Energy profile, Potential energy, Reaction mechanism

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