화학공학소재연구정보센터
검색결과 : 78건
No. Article
1 Microkinetic modeling of DME synthesis from methanol over H-zeolite catalyst: Associative vs. dissociative pathways
Park J, Cho J, Park MJ, Lee WB
Catalysis Today, 375, 314, 2021
2 Theoretical study of charge-remote fragmentation along the reaction coordinate of 1,4-hydrogen elimination in the gas-phase: Energy barrier and mechanism
Sugimura N, Igarashi Y, Aoyama R, Shibue T
Chemical Physics Letters, 691, 336, 2018
3 C2H2M (M = Ti, Li) complex: A possible hydrogen storage material
Kalamse V, Wadnerkar N, Deshmukh A, Chaudhari A
International Journal of Hydrogen Energy, 37(4), 3727, 2012
4 On the Estimation of the Remainder Term in Moller-Plesset MP2 Theory from Limited Configuration Interaction
Hubac I, Wilson S
International Journal of Molecular Sciences, 3(5), 570, 2002
5 State-specific Multi-reference Perturbation Theories with Relaxed Coefficients: Molecular Applications
Ghosh P, Chattopadhyay S, Jana D, Mukherjee D
International Journal of Molecular Sciences, 3(6), 733, 2002
6 Optimized partitioning in perturbation theory: Comparison to related approaches
Surjan PR, Szabados A
Journal of Chemical Physics, 112(10), 4438, 2000
7 Multireference perturbation theory for large restricted and selected active space reference wave functions
Celani P, Werner HJ
Journal of Chemical Physics, 112(13), 5546, 2000
8 A nonorthogonal approach to perfect pairing
Voorhis TV, Head-Gordon M
Journal of Chemical Physics, 112(13), 5633, 2000
9 Maximum radius of convergence perturbation theory
Finley JP
Journal of Chemical Physics, 112(16), 6997, 2000
10 Mechanism of the reaction of CH3SO with NO2 in relation to atmospheric oxidation of dimethyl sulfide: Experimental and theoretical study
Kukui A, Bossoutrot V, Laverdet G, Le Bras G
Journal of Physical Chemistry A, 104(5), 935, 2000