화학공학소재연구정보센터
검색결과 : 3건
No. Article
1 Deprotonation of solvated formic acid: Car-Parrinello and metadynamics simulations
Lee JG, Asciutto E, Babin V, Sagui C, Darden T, Roland C
Journal of Physical Chemistry B, 110(5), 2325, 2006
2 Exploring intramolecular reactions in complex systems with metadynamics: The case of the malonate anions
Asciutto E, Sagui C
Journal of Physical Chemistry A, 109(34), 7682, 2005
3 Thermal and solvent effects on the coordination structure of LiA1H(4): a computational study
Asciutto E, Crespo A, Estrin DA
Chemical Physics Letters, 353(1-2), 178, 2002