共 50 条
- [21] Concurrent cyclopropanation by carbenes and carbanions? A density functional theory study on the reaction pathwaysJOURNAL OF ORGANIC CHEMISTRY, 2007, 72 (14): : 5139 - 5145Fang, RanKe, ZhuofengShen, YongZhao, CunyuanPhillips, David Lee
- [22] Ability of density functional theory methods to accurately model the reaction energy pathways of the oxidation of CO on gold cluster: A benchmark studyTHEORETICAL CHEMISTRY ACCOUNTS, 2016, 135 (04)Gurtu, SaumyaRai, SandhyaEhara, MasahiroPriyakumar, U. Deva
- [23] Ability of density functional theory methods to accurately model the reaction energy pathways of the oxidation of CO on gold cluster: A benchmark studyTheoretical Chemistry Accounts, 2016, 135Saumya GurtuSandhya RaiMasahiro EharaU. Deva Priyakumar
- [24] Computation of thermodynamic oxidation potentials of organic solvents using density functional theoryJOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2001, 148 (05) : E183 - E188Zhang, XRPugh, JKRoss, PN
- [25] A density functional theory study of CO oxidation on Ru(0001) at low coverageJOURNAL OF CHEMICAL PHYSICS, 2000, 112 (23): : 10564 - 10570Zhang, CJHu, PAlavi, A
- [26] A density functional theory study of the mechanisms of oxidation of ethylene by rhenium oxide complexesDALTON TRANSACTIONS, 2013, 42 (30) : 10885 - 10897Aniagyei, AlbertTia, RichardAdei, Evans
- [27] Initial oxidation of γ-TiAl(111) surface: Density-functional theory studyJournal of Materials Science and Technology, 2009, 25 (04): : 569 - 576Li, HongWang, ShaoqingYe, Hengqiang
- [28] Density functional theory study of furfural electrochemical oxidation on the Pt (111) surfaceJOURNAL OF CATALYSIS, 2019, 373 : 322 - 335Gong, LiAgrawal, NaveenRoman, AlexHolewinski, AdamJanik, Michael J.
- [29] Density Functional Theory Study of the Oxidation of Methanol to Formaldehyde on a Hydrated Vanadia ClusterJOURNAL OF COMPUTATIONAL CHEMISTRY, 2010, 31 (13) : 2493 - 2501Gonzalez-Navarrete, P.Gracia, L.Calatayud, M.Andres, J.
- [30] CO oxidation catalyzed by Cu‐exchanged zeolites: a density functional theory studyCatalysis Letters, 1999, 61 : 179 - 186D. SenguptaW.F. SchneiderK.C. HassJ.B. Adams