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Keyword [Density Functional Calculations]
Result: 1 - 20 | Page: 1 of 2
1.
Theoretical Studies On The Colbat(â…¢) Complexes-DNA Interactions And Some Complexes Containing Planar Tetracoordinate Carbon Atoms
2.
Theoretical Study Of The Mechanisms Of Some Prototype Chemical Reactions Mediated By Cytochrome P450
3.
Density Functional Calculations On Selected Bio-Related Systems
4.
Theoretical Studies On Nucleophilicity Parameters For π-Nucleophiles And The Mechanism Of Native Chemical Ligation
5.
Theoretical Study Of The Reaction Of
1
O
2
With Chlorophenols
6.
Theoretical Study Of The Peroxidation Of Chlorophenols In The Dye Sensitized Photodegradation Condition
7.
The Reaction Mechanism Of Ethylene Glycol Decomposition On Different Morphology Pt Surface And Bimetallic Surface
8.
Glycine Molecule Electron Transfer Reaction Theory
9.
Theoretical Research, Functional Molecular Assembly Of The Silicon Surface
10.
Density Functional Calculations Of The Geometric Structure, Electronic, And Magnetic Properties Of Bimetallic Cluster: Au_nM~-(1≤n≤8; M=Ga, In, T1)
11.
First-principles Study Of Typical Boron-containing Functional Materials Under High Pressure
12.
Theoretical Studies On Polar1,3-dipolar Cycloaddition And[1,2]-shift Reactions Between Azocarbenium Ions With Multiple Bonds
13.
Quantum Chemical Study Of The Alkali Metal Fluoride Effects On Eletron Injection In Organic Optoelectronic Devices
14.
Theoretical Design Of Species With The Planar Penta-and Hexa-coordinate Carbon
15.
Study Of The Photoinduced Dynamics Of EDDT And Its Derivatives
16.
Adsorption Of H And CO On The Pd(111) And Aupd(111) Surfaces By Density Functional Calculations
17.
Photocatalytic Water Splitting For Hydrogen Generation On KNbO
3
Microcubes:a Combined Experimental And Theoretical Study
18.
Study On Surface Properties And Alloying Behavior Of Cementite From Density Functional Calculations
19.
Theoretical Investigation Of The Mechanism Of Chlorite Dismutase-catalyzed Reaction Of Non-natural Substrate
20.
The Theoretical Study On Electronic Properties Of WO
3
Nanowire-NO
2
Adsorption System And Ti Doping
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