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Keyword [quantum chemical]
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1. Study And Synthesis Of Novel Fluorescence Ca～(2+) Probe In Bioscience
2. A Combined MQMAS NMR And Quantum Chemical Calculation Study Of Microporous Molecular Sieves
3. Time-dependent Wave Packet Calculations On Photodissociation Dynamics Of Diatomic Molecules
4. Experimental And Theoretical Studies On The Photoionization Of Clusters With Rare-gas Atom And Diatomic Molecule
5. Relationship Between Molecular Structure And Two-Photon Fluorescence Properties Of Multi-Branched/Multi-Chain Molecules Studied By Ultrafast Spectroscopy
6. Statistical Modeling And Theoretical Analysis Of Biology-Related Systems
7. Quantum Chemical Calculation Of The Excited State Potential Energy Surface Of H2O～+ By Using The CASSCF Method
8. Quantum-chemical Studies Of Solvent Effect
9. Quantum Chemical Studies Of Molecule Structure And Chemical Reaction Process
10. Quantum Chemical Study On The Structure Of H2O Protonated Glycine Complex And Cellobiose
11. Research On Bio-molecules Based On Terahertz Spectroscopy And Density Functional Theory
12. Terahertz Spectrum Database Research Of Vitamin
13. P <sub> 6 </ Sub> Cluster Structure And The Nature Of Theoretical Research, As Well As Fc (o) O Radical With No Reaction Mechanism, Quantum Chemical Study
14. Theoretical Studies On Novel Molecular Switches:the Combination Of Quantum Chemical Calculations And Molecular Dynamics Simulations
15. Photophysical Properties Of D-A Organic Photoelectric Materials
16. Development Of Fragment Quantum Chemical Method And Theoretical Studies On Vibrational Stark Effect For Proteins
17. Development Of A Well-balanced Protein Force Field And Application In Protein Folding Study
18. First Principles Investigation On Molecular Electronic Devices With Graphene Nano-electrodes
19. Performance Analysis On Molecular Mechanics Force Fields And Quantum Mechanics For Amino Acids And Small Peptides
20. Application Of Quantum Chemical Calculation In Nucleic Acid Bases And Zeolite Catalytic System
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