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Keyword [density fuctional theory]
Result: 1 - 7 | Page: 1 of 1
1.
A Quantum Chemical Approach For Modulating The Nonlinear Optical Properties Of Acidic Molecules Containing Nitrogen/Boron Atoms By Their Interaction With Alkali Metals (Li→K) And Halogens (F→Br)
2.
Theoretical Studies Of Several Nanomolecule And Small Molecule Systems On Nonlinear Optical Properties
3.
Theoretical Studies On Nonlinear Optical Properties From Small Molecule Systems To Nanomolecule
4.
First-principles Study And Symmetry Properties Of Single-walled Carbon Nanotubes
5.
Ring-opening Polymerization Of ε-carprolactone Initiated By Yttrium Phenolate And Diol System: Experimental And DFT Computational Studies
6.
Theoretical Study On The Detonation Performances Of The High-nitrogen Heterocyclic Compounds
7.
First-Principles Study Of Oxygen Reduction Reaction On Metal-Embedded Nitrogen-Doped Graphene
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