화학공학소재연구정보센터
검색결과 : 670건
No. Article
21 Tunnelling and the kinetic isotope effect in CH3 + CH4 -> CH4 + CH3: An application of semiclassical transition state theory
Burd TAH, Shan X, Clary DC
Chemical Physics Letters, 693, 88, 2018
22 The transition state of the automerization reaction of cyclobutadiene: A theoretical approach using the Restricted Active Space Self Consistent Field method
Varras PC, Gritzapis PS
Chemical Physics Letters, 711, 166, 2018
23 DFT calculation-based study of the mechanism for CO2 formation in the interaction of CO and NO2 molecules
Kroupnov AA, Pogosbekian MJ
Chemical Physics Letters, 710, 90, 2018
24 Molecular conformational effects in H plus n-heptane reaction rate calculations
Nasiri R, Luo KH
Combustion and Flame, 193, 170, 2018
25 Theoretical kinetics of hydrogen abstraction and addition reactions of 3-hexene by H, O-(3P) and CH3
Yang FY, Zhang YJ, Sun WC, Zhao Q, Huang WL, Qin XK, Deng FQ, Huang ZH
Combustion and Flame, 197, 449, 2018
26 Quantum chemical and kinetics calculations for the NO reduction with char(N): Influence of the carbon monoxide
Jiao AY, Zhang H, Liu JX, Jiang XM
Combustion and Flame, 196, 377, 2018
27 Geometrical effect of 3D-memory cavity on the imprinting efficiency of transition-state analogue-built artificial hydrolases
Mathew D, Thomas B, Devaky KS
Polymer Bulletin, 75(9), 3883, 2018
28 Biomimetic recognition and peptidase activities of transition state analogue imprinted chymotrypsin mimics
Mathew D, Thomas B, Devaky KS
Reactive & Functional Polymers, 124, 121, 2018
29 Stringency of bacterial prolipoprotein signal peptidase (LspA) in recognition of signal peptides - Structure-function correlation
Sangith N, Sankaran K
Biochemical and Biophysical Research Communications, 488(2), 413, 2017
30 Selectivity for CO2 over CH4 on a functionalized periodic mesoporous phenylene-silica explained by transition state theory
Kunkel C, Vines F, Lourenco MAO, Ferreira P, Gomes JRB, Illas F
Chemical Physics Letters, 671, 161, 2017