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Keyword [quantum chemical calculation]
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1. A Combined MQMAS NMR And Quantum Chemical Calculation Study Of Microporous Molecular Sieves
2. Time-dependent Wave Packet Calculations On Photodissociation Dynamics Of Diatomic Molecules
3. Experimental And Theoretical Studies On The Photoionization Of Clusters With Rare-gas Atom And Diatomic Molecule
4. Quantum Chemical Calculation Of The Excited State Potential Energy Surface Of H2O～+ By Using The CASSCF Method
5. Terahertz Spectrum Database Research Of Vitamin
6. Photophysical Properties Of D-A Organic Photoelectric Materials
7. Development Of A Well-balanced Protein Force Field And Application In Protein Folding Study
8. First Principles Investigation On Molecular Electronic Devices With Graphene Nano-electrodes
9. Performance Analysis On Molecular Mechanics Force Fields And Quantum Mechanics For Amino Acids And Small Peptides
10. Application Of Quantum Chemical Calculation In Nucleic Acid Bases And Zeolite Catalytic System
11. Dissociative Ionization Of Allyl Bromide In The Intense Femtosecond Laser Fields
12. The Quantum Chemical Calculation Of SF6 And S2
13. A Theoretical Study Of The Nucleation Mechanism Of Methanesulfonic Acid With Ammonia And Methylamine In The Atmosphere
14. Terahertz Spectral Detection And Analysis Of Salicylic Acid Drugs And Their Cocrystals
15. The Geochemical Significance Of Phenyl Polycyclic Aromatics And Naphthofurans In The Geosphere
16. Theoretical Study Of Low-Dimensional Nanomaterials For Biomedical Applications
17. Study On The Electronic Structure Properties Of Hydrated Dodecaborate
18. Quantum Chemical Calculation Of Carbonate Radical Formation And Reaction Mechanism With Typical Biomolecules
19. Theoretical Study On Nucleation Mechanism Of New Particles Formation Based On Methanesulfonic Acid In The Atmosphere
20. Study On Dielectric Properties Of Terahertz Waves Radiated By Femtosecond Laser-induced Liquid Line
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