A generalized synchronous transit method for transition state location

By Niranjan Govind, M. Petersen, G. Fitzgerald, D. King-Smith, J. Andzelm. 2003

1,048 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/8b51ca698dd7504088c4fdb36f0f51595d468144

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In Atomic and Molecular Physics, and Optics

1. Ping Wu
2. Wenhua Zhang
3. Jinlong Yang
4. Zhenyu Li

In Electrical and Electronic Engineering

1. Jinlong Yang

In Materials Chemistry

1. Ping Wu
2. Wenhua Zhang
3. Jinlong Yang
4. Zhenyu Li

Citations in the corpus

• First-Principles Thermodynamics of Graphene Growth on Cu Surfaces (2011, methodology): “e. Along the step direction, three unit cells are used to investigate the adsorption of atomic carbon and carbon dimer. The transition state (TS) search is performed with synchronous transit methods. (15) Molecular dynamics (MD) simulation (16) is performed for CH covered Cu (111) surface, with a th”