Browse "CH-Journal Papers(저널논문)" by Type Article

Showing results 1061 to 1080 of 5806

1061
Computational analysis of the contributions to the piezoelectric coefficient e(33) in ZnO nanowires: first-principles calculations

Kim, Seong Min; Kim, Tae Yun; Lee, Jung-Hoon; Kim, Sang-Woo; Ha, Jaewook; Kim, Jin-Baek, JOURNAL OF COMPUTATIONAL ELECTRONICS, v.13, no.4, pp.983 - 988, 2014-12

1062
Computational and spectroscopic characterization of key intermediates of the Selective Catalytic Reduction cycle of NO on zeolite-supported Cu catalyst

Crandell, Douglas W.; Zhu, Haiyang; Yang, Xiaofan; Hochmuth, John; Baik, Mu-Hyun, INORGANICA CHIMICA ACTA, v.430, pp.132 - 143, 2015-05

1063
Computational Design and Discovery of Nanomolar Inhibitors of I kappa B Kinase beta

Park, Hwangseo; Shin, Yong Je; Choe, Hyeonjeong; Hong, Sung-Woo, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.137, no.1, pp.337 - 348, 2015-01

1064
Computational design of an apoptogenic protein that binds BCL-xL and MCL-1 simultaneously and potently

Kim, Seonghoon; Park, Hee-Sung; Oh, Byung-Ha, COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, v.20, pp.3019 - 3029, 2022-06

1065
Computational elucidations on the role of vibrations in energy transfer processes of photosynthetic complexes

Cho, Kwang Hyun; Rhee, Young Min, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.23, no.47, pp.26623 - 26639, 2021-12

1066
Computational Photochemistry

Jacquemin, Denis; Blancafort, Lluis; Rhee, Young Min, CHEMPHOTOCHEM, v.3, no.9, pp.664 - 665, 2019-09

1067
Computational searching for new stable graphyne structures and their electronic properties

Kim, Hahn; Kim, Yeonjoon; Kim, Jaewook; Kim, Woo Youn, CARBON, v.98, pp.404 - 410, 2016-03

1068
Computational Study of Hydrogen Chemisorption on a Multi-Phenyl Organic Linker as a Model of Hydrogen Spillover on Metal-Organic Frameworks

Choi, Sunghwan; Jeong, Kyeong-jun; Park, Jiyoung; Lee, Yoon-Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.36, no.3, pp.777 - 783, 2015-03

1069
Computational study of medium-sized cumulenethiones H2CnS (n=3-9)

Park, SW; Park, K; Lee, S; Kim, Bongsoo, CHEMICAL PHYSICS LETTERS, v.326, no.5-6, pp.530 - 536, 2000-08

1070
Computational study of the binding of Cu(II) to Alzheimer's amyloid-beta peptide: Do A beta 42 and A beta 40 bind copper in identical fashion?

Mantri, Yogita; Fioroni, Marco; Baik, Mu-Hyun, JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, v.13, no.8, pp.1197 - 1204, 2008-11

1071
Computationally Designed and Experimentally Confirmed Diastereoselective Rhodium-Catalyzed Pauson-Khand Reaction at Room Temperature

Baik, Mu-Hyun; Mazumder, Shivnath; Ricci, Paolo; Sawyer, James R.; Song, Ye-Geun; Wang, Huijun; Evans, P. Andrew, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.133, no.20, pp.7621 - 7623, 2011-05

1072
Computer-aided rational design of Fe(III)-catalysts for the selective formation of cyclic carbonates from CO2 and internal epoxides

Sinha, Indranil; Lee, Yu Seop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min Seob; Kim, Jin; et al, CATALYSIS SCIENCE & TECHNOLOGY, v.7, no.19, pp.4375 - 4387, 2017-10

1073
COMPUTER-SIMULATION OF A GRAND CANONICAL ENSEMBLE OF RODLIKE MOLECULES

YOON, K; CHAE, DG; REE, Taegyu; REE, FH, JOURNAL OF CHEMICAL PHYSICS, v.74, no.2, pp.1412 - 1423, 1981

1074
COMPUTER-SIMULATIONS OF A CONTINUUM SYSTEM OF MOLECULES WITH A HARD-CORE INTERACTION IN THE GRAND CANONICAL ENSEMBLE

LEE, YS; CHAE, DG; Ree, Taikyue; REE, FH, JOURNAL OF CHEMICAL PHYSICS, v.74, no.12, pp.6881 - 6887, 1981

1075
Computing redox potentials in solution: Density functional theory as a tool for rational design of redox agents

Baik, Mu-Hyun; Friesner, RA, JOURNAL OF PHYSICAL CHEMISTRY A, v.106, no.32, pp.7407 - 7412, 2002-08

1076
Concise Total Synthesis and Stereochemical Revision of all (-)-Trigonoliimines

Han, Sunkyu; Movassaghi, Mohammad, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.133, no.28, pp.10768 - 10771, 2011-07

1077
Condensed phase molecular dynamics using interpolated potential energy surfaces with application to the resolvation process of coumarin 153

Park, Jae Woo; Kim, Hyun Woo; Song, Chang-ik; Rhee, Young Min, JOURNAL OF CHEMICAL PHYSICS, v.135, no.1, 2011-07

1078
Conductance imaging of thermally desorbed silicon oxide

Park, JY; Phaneuf, RJ, JOURNAL OF VACUUM SCIENCE TECHNOLOGY B, v.21, no.4, pp.1254 - 1257, 2003-07

1079
Configuration interaction singles based on the real-space numerical grid method: Kohn-Sham versus Hartree-Fock orbitals

Kim, Jaewook; Hong, Kwangwoo; Choi, Sunghwan; Hwang, Sang-Yeon; Kim, Woo Youn, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.17, no.47, pp.31434 - 31443, 2015-12

1080
Configuration specific desorption by scanning tunneling microscope in organic-semiconductor hybrid systems

Kim, Ansoon; Bae, Sung-Soo; Choi, Dae Sik; Kim, Sehun, JOURNAL OF PHYSICAL CHEMISTRY C, v.112, no.5, pp.1493 - 1497, 2008-02

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