DSpace at KOASAS: Browsing DSpace

DSpace at KOASAS

Browsing DSpace

Browse "CH-Journal Papers(저널논문)" by Subject density functional theory

Sort by:
In order:
Results/Page
Authors/Record:

Showing results 15 to 24 of 24

15	Reactivity of molecular oxygen with aluminum clusters: Density functional and Ab Initio molecular dynamics simulation study Paranthaman, Selvarengan; Moon, Jiwon; Hong, Kiryong; Kim, Jeongho; Kim, Dong Eon; Kim, Joonghan; Kim, Tae Kyu, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.7, pp.547 - 554, 2016-04
16	Spin-orbit density functional theory calculations for (X = F, Cl, Br and I) molecules Cho, WK; Choi, YJ; Lee, Yoon Sup, MOLECULAR PHYSICS, v.103, no.15-16, pp.2117 - 2122, 2005-08
17	Spin-orbit density functional theory calculations for TlAt with relativistic effective core potentials Choi, YJ; Bae, C; Lee, Yoon Sup; Leet, S, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.24, no.6, pp.728 - 730, 2003-06
18	Study of Li Adsorption on Graphdiyne Using Hybrid DFT Calculations Kim, Jaewook; Kang, Sungwoo; Lim, Jaechang; Kim, Woo Youn, ACS APPLIED MATERIALS & INTERFACES, v.11, no.3, pp.2677 - 2683, 2019-01
19	Switching Chemoselectivity Based on the Ring Size: How to Make Ring-Fused Indoles Using Transition-Metal-Mediated Cross-Coupling Kim, Jang-Yeop; Lee, Woojong; Kang, Hyung-Joon; Jeon, Tae-Hong; Baik, Mu-Hyun; Cho, Cheon-Gyu, ACS CATALYSIS, v.11, no.20, pp.12821 - 12832, 2021-10
20	The Mechanism of Copper-Catalyzed Trifunctionalization of Terminal Allenes Kim, Hong Ki; Mane, Manoj, V; Montgomery, John; Baik, Mu-Hyun, CHEMISTRY-A EUROPEAN JOURNAL, v.25, no.40, pp.9456 - 9463, 2019-07
21	The Mechanism of O?O Bond Formation in Tanaka's Water Oxidation Catalyst Ghosh, Soumya; Baik, Mu-Hyun, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.51, no.5, pp.1221 - 1224, 2012
22	Theoretical study on the reaction of butadiynyl radical (C4H) with ethylene (C2H4) to form C6H4 and H Kim, Joonghan; Ihee, Hyotcherl, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.112, no.8, pp.1913 - 1925, 2012-04
23	Tuned Chemical Bonding Ability of Au at Grain Boundaries for Enhanced Electrochemical CO2 Reduction Kim, Kang-Sahn; Kim, Won June; Lim, Hyung Kyu; Lee, Eok-Kyun; Kim, Hyungjun, ACS CATALYSIS, v.6, no.7, pp.4443 - 4448, 2016-07
24	Update to ACE-molecule: Projector augmented wave method on lagrange-sinc basis set Kang, Sungwoo; Ryu, Seongok; Choi, Sunghwan; Kim, Jaewook; Hong, Kwangwoo; Kim, Woo Youn, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.8, pp.644 - 650, 2016-04

Discover

KOASAS

Knowledge Service Development Team, KAIST 291 Daehak-ro, Yuseong-gu, Daejeon 34141, Republic of Korea. T. 82-42-350-4493 Email. koasas@kaist.ac.kr
Copyright © 2016. Korea Advanced Institute of Science and Technology. All Rights Reserved.

Communities & Collections

rss_1.0 rss_2.0 atom_1.0