화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 A doubly nudged elastic band method for finding transition states
Trygubenko SA, Wales DJ
Journal of Chemical Physics, 120(5), 2082, 2004
2 A doubly nudged elastic band method for finding transition states (vol 120, pg 2082, 2004)
Trygubenko SA, Wales DJ
Journal of Chemical Physics, 120(16), 7820, 2004
3 Analysis of cooperativity and localization for atomic rearrangements
Trygubenko SA, Wales DJ
Journal of Chemical Physics, 121(14), 6689, 2004
4 Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. Guanine: Surprising stabilization of rare tautomers in aqueous solution
Hanus M, Ryjacek F, Kabelac M, Kubar T, Bogdan TV, Trygubenko SA, Hobza P
Journal of the American Chemical Society, 125(25), 7678, 2003