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Showing results 1 to 6 of 6

1
Ab initio and reaction dynamic calculations for three-atom reactions using potential energy surface and reaction coordinate calculations using relativistic effective core potentials. = 에너지 표면을 이용한 삼원자 분자 반응에 대한 양자화학 및 반응동력학 계산과 유효중심장 이론을 이용한 반응 경로 계산link

Kim, Kyoung-Hoon; 김경훈; et al, 한국과학기술원, 2002

2
Ab initio calculations of the electronic states of Li-Rare gas molecules and alkali dimers = 리튬-비활성 기체 분자와 알칼리 이원자 분자의 전자 구조 계산link

Park, Soo-Jin; 박수진; et al, 한국과학기술원, 2000

3
Ab initio study of structures of fluorocyclobutenes and MXY(M=Ca,Sr,Ba;X,Y=H,F,Cl,Br,I) molecules = 플루오로시클로부텐과 MXY (M=Ca,Sr,Ba ; X,Y =H,F,Cl,Br,I)분자 구조의 순이론적 연구link

Han, Young-Kyu; 한영규; et al, 한국과학기술원, 1996

4
Spin-orbit ab initio study of two low-lying states of chloroiodomethane cation

Kim, Joonghan; Ihee, Hyotcherl; Lee, Yoon Sup, THEORETICAL CHEMISTRY ACCOUNTS, v.129, no.3-5, pp.343 - 347, 2011-06

5
Structural determination of large molecules through the reassembly of optimized fragments

Lee, Jung-Goo; Lee, Yoon Sup; Roland, Christopher, JOURNAL OF MOLECULAR GRAPHICS & MODELLING, v.27, no.3, pp.364 - 375, 2008-10

6
Structures and N®Si Bond Characters of 1-Fluorosilatrane and the Silatranyl Cation

Lee, Hyo Sug; Bae, Cheolbeom; Do, Youngkyu; Lee, Yoon Sup, Bull. Korean Chem. Soc. 2002, Vol. 23, No. 2, 2002

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