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Keyword [B3LYP]
Result: 61 - 75 | Page: 4 of 4
61.
DFT Theoretical Investigation Into The Process Of Explosive Wastewater Treatment
62.
Theoretical Studies On The Hydrolysis Mechanism Of Dinotefuran
63.
Theoretical Study On The Mechanisms Of Metal-free Catalyzed Reactions For Synthesis Of Phenanthridines
64.
Reparameterization And Auxiliary Basis Sets For Improving B3LYP Accuracy
65.
Theoretical Studies On The Aminolysis Of Methomyl And Hydrolysis Of Chlordimeform Mechanism
66.
DFT Study On The Hydrosilylation Of Carbonyl Compounds By High-valence Mo(VI)/Mn(V) Complexes
67.
Study On The Stability Of CO And NO Adsorptions On The Pd_n Clusters Doped With Au,Ag,Cu And Ni
68.
Theoretical Studies On Ni~+ And NiAl~+ Activated C-H And C-C Bonds Of Cyclohexane In Gas Phase
69.
Dispersion Correction To The B3LYP Calculations Of Intermolecular Interactions
70.
B (C
6
F
5
)
3
And IrH (POCOP) Complex Catalyzed DFT Study Of The Hydrosilylation Reaction
71.
Computational investigations of organometallic and S-nitrosothiol reaction mechanisms
72.
The influence of substituents and supramolecular catalysis on the rates of synthetically useful pericyclic reactions
73.
Theoretical investigation of the mechanisms of carbon-carbon bond forming reactions in transition metal complexes
74.
Towards combined computational and experimental studies on toxicity of silver nanoparticles
75.
Research On Rhodium Complex Catalyst Based On Methanol Carbonylation Reaction
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