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Showing results 1 to 5 of 5

1
2023 Roadmap on molecular modelling of electrochemical energy materials

Zhang, Chao; Cheng, Jun; Chen, Yiming; Chan, Maria K. Y.; Cai, Qiong; Carvalho, Rodrigo P.; Marchiori, Cleber F. N.; et al, JOURNAL OF PHYSICS-ENERGY, v.5, no.4, 2023-10

2
Efficient Basin-Hopping Sampling of Reaction Intermediates through Molecular Fragmentation and Graph Theory

Kim, Yeonjoon; Choi, Sunghwan; Kim, Woo Youn, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.10, no.6, pp.2419 - 2426, 2014-06

3
Efficient prediction of reaction paths through molecular graph and reaction network analysis

Kim, Yeonjoon; Kim, Jin Woo; Kim, Zeehyo; Kim, Woo Youn, CHEMICAL SCIENCE, v.9, no.4, pp.825 - 835, 2018-01

4
Extracting Kinetics and Thermodynamics of Molecules without Heavy Atoms via Time-Resolved Solvent Scattering Signals

Oang, Key Young; Park, Sungjun; Moon, Jiwon; Park, Eunji; Lee, Hyun Kyung; Sato, Tokushi; Nozawa, Shunsuke; et al, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.14, no.13, pp.3103 - 3110, 2023-03

5
Performance of ACE-Reaction on 26 Organic Reactions for Fully Automated Reaction Network Construction and Microkinetic Analysis

Kim, Jin Woo; Kim, Yeonjoon; Baek, Kyung Yup; Lee, Kyunghoon; Kim, Woo Youn, JOURNAL OF PHYSICAL CHEMISTRY A, v.123, no.22, pp.4796 - 4805, 2019-06

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