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Keyword [molecular orbitals]
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1. The Linear Scaling Algorithms For Localized Molecular Orbitals In Large Systems
2. Theoretical Calculations Studies On Structures And Properties Of Metal Porphyrin With Different Substitutions
3. Density Functional Theory Calculations Of The Electronic Structures And Properties Of Indolenium Squaraine Dyes
4. Theoretical Study On Chemiluminescence Reagent Of Luminol
5. Study On The Mechanism Of Molecular Reaction Of Energetic Materials
6. Localized Molecular Orbitals Of Large Systems And Their Applications In Excited State Calculations
7. Computational Insights Into The Selectivities Of Au(I)-Catalyzed Intramolecular Addition Of Hydroxylamine Group Onto Alkynes And The Fragmentation Of (CO)5
8. Theoretical Study On Chemiluminescence Reagent Of Phthalhydrazide
9. Studies On Electronic Structure And Chemical Bonding Of Clusters By Density Functional Theory
10. Theoretical And Computational Investigations Into Electrocatalytic Oxygen Reduction Reaction On Carbon-based Nanomaterials
11. Study On Molecular Orbital Energy And Its Properties Of Flexible,Colorless And Transparent Polyimide Film Materials
12. Localized molecular orbitals of transition metal complexes
13. Synthesis And Properties Of Conjugate-extended Benzodipyrrolidones And Their Copolymers
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