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Showing results 1 to 14 of 14

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
Atomic cranks and levers control sugar ring conformations

Zhang, Qingmin; Lee, Gwangrog; Marszalek, Piotr E., JOURNAL OF PHYSICS-CONDENSED MATTER, v.17, no.18, pp.S1427 - S1442, 2005-05

3
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

4
Direct detection of inter-residue hydrogen bonds in polysaccharides by single-molecule force spectroscopy

Zhang, Qingmin; Jaroniec, Justyna; Lee, Gwangrog; Marszalek, Piotr E., ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.44, no.18, pp.2723 - 2727, 2005

5
Efficiency of pi-pi tunneling in [2]rotaxane molecular electronic switches

Kim, Yong-Hoon; Goddard, WA, JOURNAL OF PHYSICAL CHEMISTRY C, v.111, no.12, pp.4831 - 4837, 2007-03

6
First-principles study of the switching mechanism of [2]catenane molecular electronic devices

Kim, Yong-Hoon; Jang, SS; Jang, YH; Goddard, WA, PHYSICAL REVIEW LETTERS, v.94, no.15, 2005-04

7
Free Energy Barrier for Molecular Motions in Bistable [2]Rotaxane Molecular Electronic Devices

Kim, Hyungjun; Goddard, William A.; Jang, Seung Soon; Dichtel, William R.; Heath, James R.; Stoddart, James Fraser, JOURNAL OF PHYSICAL CHEMISTRY A, v.113, no.10, pp.2136 - 2143, 2009-03

8
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

9
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

10
Molecular height measurement by cell surface optical profilometry (CSOP)

Son, Sungmin; Takatori, Sho C.; Belardi, Brian; Podolski, Marija; Bakalar, Matthew H.; Fletcher, Daniel A., PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.117, no.25, pp.14209 - 14219, 2020-06

11
Molecular simulation study on adhesions and deformations for Polymethyl Methacrylate (PMMA) resist in nanoimprint lithography

Kwon, Sungjin; Lee, Youngmin; Park, Jaeshin; Im, Seyoung, JOURNAL OF MECHANICAL SCIENCE AND TECHNOLOGY, v.25, no.9, pp.2311 - 2322, 2011-09

12
Possible performance improvement in [2]catenane molecular electronic switches

Kim, Yong-Hoon; Jang, SS; Goddard, WA, APPLIED PHYSICS LETTERS, v.88, no.16, 2006-04

13
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

14
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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