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Showing results 1 to 4 of 4

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
Density functional and ab initio studies on structures and energies of the ground state of CrCO

Kim, Joonghan; Lee, Yoon Sup; Ihee, Hyotcherl, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.107, no.2, pp.458 - 463, 2007-02

3
Interpolation for molecular dynamics simulations: from ions in gas phase to proteins in solution

Rhee, Young Min; Park, Jae Woo, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.8, pp.573 - 577, 2016-04

4
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

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