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Keyword [DFT calculation]
Result: 1 - 20 | Page: 1 of 10
1.
Study On The Excited States Of Several Molecular Systems: Potential Energy Surface Intersections And The Properties Of The Organic Light-emitting Material
2.
Relativistic Density Functional Studies On The Catalytic Reactivity Of Platinum Clusters In The Gas Phase
3.
Density Functional Theory Studies On The Niobium,Rhodium Clusters And Their Reactive Mechanisms With Small Molecules In The Gas Phase
4.
First-Principles Research On N/F-Doped And N-F-Codoped TiO
2
(101) Surfaces
5.
DFT Study Of The Monooxygenation Reactions Of The Substrates Containing Nitrogen Or Sulfur Atom By Cytochrome P450
6.
Theoretical Study On Strengthening Sulfide Flotation Of Zinc Concentrate By Ammonium Salt
7.
Theory And Experimental Study On Ammonium - Amine Salt Enhanced Vulcanized Malachite Flotation
8.
Theoretical Study On The Activation Of Dioxygen By Fe Complexes And Related Oxidation Reaction Of Alkene
9.
Research On The Influence Of Cr
3+
Dopant On Photocatalytic Degradation Of Five Dyes In The Prensence Of TiO
2
And DFT Calculation
10.
The First Principle Study Of CO Adsorption And Reaction On Transition Metal And Metal Oxide Surfaces
11.
Synthesis Of Phenanthroline-derivatives&Eu Complexes Luminescent Materials And Study On Performance
12.
First-principles Study On The Mechanism Of Pd-Cu-Cl
x
/Al
2
O
3
Catalyst For Low-temperature CO Oxidation
13.
The Sensing Mechanism Of Novel Thiol Fluorescent Probe-quinolineα,β Unsaturated Malonic Acids
14.
Zeolites Br (?) Nsted Acidic Theoretical Calculations Characterized
15.
¦°-complexation Adsorption Desulfurization And Denitrification Of The Theory Of Computing Research
16.
Neodymium Calcium Manganese Perovskite-type Oxide Preparation And Oxygen Reduction Catalytic Properties
17.
With (even) The Synthesis Of Heterocyclic Compounds And Biological Activity Determination
18.
Investigation On The Fragmentation Behaviors Of Metal Ion Adducts Of Organic Compounds In Electrospray Tandem Mass Spectrometry
19.
Design And Mechanistic Investigations Of N-Hydroxyimides As Organocatalysts For Aerobic Oxidation
20.
Study On Structures, Thermal Stabilities And Magnetic Properties Of Ni-Mn(Fe, Co)-Ga(In)Ferromagnetic Shape Memory Alloys By Ab-initio Calculations
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