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Keyword [Orbitals]
Result: 1 - 20 | Page: 1 of 2
1. Development Of Hybrid Coupled Cluster Methods
2. The Linear Scaling Algorithms For Localized Molecular Orbitals In Large Systems
3. Calculation Of Overlap Integrads Over Slater Type Orbitals Using Monte Carlo Method
4. Corrlation Of Quantitative Structure And Inhibition Phytotoxicity For Aromatic Compounds Using Ab Initio
5. Theoretical Calculations Studies On Structures And Properties Of Metal Porphyrin With Different Substitutions
6. Density Functional Theory Calculations Of The Electronic Structures And Properties Of Indolenium Squaraine Dyes
7. Theoretical Study On The Molecular Recognition And Devices Of Crown Ethers Derivatives With The Alkali Metal Ions
8. Theoretical Study On Chemiluminescence Reagent Of Luminol
9. Study On The Mechanism Of Molecular Reaction Of Energetic Materials
10. Localized Molecular Orbitals Of Large Systems And Their Applications In Excited State Calculations
11. Theoretical Study On The Recognition Of A Series Of Crown Ethers Compounds For The Alkali Metal Ions
12. Theoretical Study On The Cations Recognition And Interaction Of Crown Ethers Derivatives
13. Computational Insights Into The Selectivities Of Au（I）-Catalyzed Intramolecular Addition Of Hydroxylamine Group Onto Alkynes And The Fragmentation Of （CO）5
14. Theoretical Study On Chemiluminescence Reagent Of Phthalhydrazide
15. Studies On Electronic Structure And Chemical Bonding Of Clusters By Density Functional Theory
16. Theoretical Studies On The Excited States Manipulating Of Organic Conjugated Molecules
17. Pulsed Laser Assisted Synthesis Of Carbon Quantum Dots And Gadolinium Carbide/Carbon Shell Dots,Crystalstructure And Enhanced Magnetic Resonance Properties
18. Theoretical And Computational Investigations Into Electrocatalytic Oxygen Reduction Reaction On Carbon-based Nanomaterials
19. Theoretical Investigations Of Photophysical Properties Of Common Metal Fe(?) Complexes And Their Application Prospect Analysis
20. The Reaction Of Ce Atom And Its Oxide Molecules With N2 And NH3 And The Bonding Characteristics
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