Density functional - Globe Thesis

Keyword [Density functional] Result: 21 - 40 \| Page: 2 of 3
21.	Quantum Chemistry Study On ESI-ITMS~n Cleavage Regularity Of Flavonol Compounds
22.	Rapid Determination Of Aminopyrine Illegally Adulterated In Shexiang Fengshi Capsule By Surface-Enhanced Raman Spectroscopy
23.	Construction Of New Purple Sweet Potato Anthocyanins Microcapsules And Study Of Their Antioxidant Mechanisms
24.	Quantum Chemistry Calculations Of Halogen Bonding,Guanidinium-Arginine Interactions And Transition State Of Drug Synthetic Reactions In Drug Design
25.	Study On Photochemical Reactions And Mechanism Of 1,4-dihydropyridine Derivatives
26.	Metabolic Mechanism Of Alkyl N-nitrosamines Catalyzed By Cytochrome P450
27.	Theoretical Study On The Mechanism Of Hypoxia-Activated Prodrug Of O~6-Benzylguanine
28.	Research On Near Infaraed Spectroscopy Analysis Of Glycosylated Serum Protein
29.	Theoretical Investigation Of The Effects Of Pre-Ozonation On Ndma Formation During Water Disinfection
30.	Isolation Of Antibacterial Components Of Two Arthropod Insects And Small Molecular Probe Of Natural Products Chemicobiology
31.	Repair Of Oxidizing Hydroxyl Adduct Radicals Of DNA Bases By Hydroxyl-trans-Stilbenes
32.	Mechanistic Studies On The Metabolic Activations Of Tobacco-specific Nitrosamines Catalyzed By Cytochrome P450 Enzymes
33.	Theoretical And Experimental Study On Metal Nanoparticles Catalyzing Suzuki Cross Coupling And Hashmi Phenol Synthesis Reaction
34.	Several Study Cases Of Computational Chemistry For Configuration Determination Of Natural Products
35.	Vibrational Spectral Detection And Analysis About The Pharmaceutical Cocrystal Formation Of Typical Anti-tubercular Drugs
36.	Multi-scale Simulations And Calculations On Biocompatibility Of Boron Nitride Nanomaterials
37.	Theoretical Studies On The Structures And Chemical Bonds Of Dithorium Endohedral Metallofullerenes
38.	In Vitro Antioxidant Activity Of Natural Products From Microorganism In Special Eco-environment And Their Structure-Activity Relationships
39.	A Resting State FMRI Study Of The Orbitofrontal Cortex And Its Neural Circuits In Patients With Panic Disorder
40.	Elucidating photophysical attributes of alpha,alpha'-diimine ligands, rhodium(III) dicyano-bis (alpha,alpha'-diimine) and tris(alpha,alpha'-diimine) complexes via ab inition and density-functional calculations
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