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Showing results 1 to 6 of 6

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
Constructing an Interpolated Potential Energy Surface of a Large Molecule: A Case Study with Bacteriochlorophyll a Model in the Fenna-Matthews-Olson Complex

Kim, Chang Woo; Rhee, Young Min, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.12, no.11, pp.5235 - 5246, 2016-11

3
Lyapunov instability of rigid diatomic molecules in three dimensions

Shin, YH; Ihm, DC; Lee, Eok Kyun, PHYSICAL REVIEW E, v.64, no.4, 2001-10

4
Lyapunov instability of rigid diatomic molecules in three dimensions: A simpler method

Choe, S; Lee, Eok Kyun, PHYSICAL REVIEW E, v.75, no.4, pp.235 - 239, 2007-04

5
Simple Method for Simulating the Mixture of Atomistic and Coarse-Grained Molecular Systems

Sokkar, Pandian; Choi, Sun Mi; Rhee, Young Min, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.9, no.8, pp.3728 - 3739, 2013-08

6
Universal Structure Conversion Method for Organic Molecules: From Atomic Connectivity to Three-Dimensional Geometry

Kim, Yeonjoon; Kim, Woo Youn, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.36, no.7, pp.1769 - 1777, 2015-07

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