time-dependent density functional theory - Globe Thesis

Keyword [time-dependent density functional theory] Result: 41 - 60 \| Page: 3 of 5
41.	A Study Of The Excited State Structural Dynamics Of Thioamides And Aromatic Diketones
42.	Theoretical Calculation Of The Impact Of Water Solvent Molecules Uracil Electronic Spectrum
43.	Theoretical Study On The Optical Properties Of Molecules And Noble Metal Nanoparticles
44.	Theoretical Study On The Cations Recognition And Interaction Of Crown Ethers Derivatives
45.	Controlling Electron Dynamics And Material Properties By Ultrafast Laser
46.	Research On The Photo And Photosensitive Degradation Of PCBs
47.	Rational Design And Theoretical Study Of Thermally Activated Delayed Fluorescent Materials
48.	Theoretical Research On Optical Chemical Sensors Based On Azo/thia-Crown Ether Derivatives
49.	Molecular Design And Theoretical Study Of Organic Thermally Activated Delayed Fluorescent Materials Based On Diphenylsulphone And Triptycenes Derivatives
50.	Theoretical Research And Constructing On A New Double Functional Devices Of Aza-crown Ether
51.	Theoretical Study On The Excited Weakinteraction Between Formaldehyde And Alkalimetal Ions,Isoniazid And Small Molecules
52.	Molecular Design Of D-A-?-A Carbazole Dye Sensitizers With Different ?-bridge And Acceptor: DFT And TD-DFT Investigation
53.	Preparation And Properties Of PH Fluorescent Probes Based On Phenoxazine Derivatives
54.	Theoretical Studies On The Excited States Manipulating Of Organic Conjugated Molecules
55.	First-Principles Simulations Of Excited States Dynamics In Low-Dimensional Materials
56.	Study On Computational Accuracy Of Time-Dependent Density Functional Theory Of Molecular Excitation Energy Based On Ensemble Machine Learning Model
57.	Density Functional Theory Study On Stucture And Thermodynamic Properties Of Confined Complex Fluids
58.	Theoretical Studies Of Band Alignment And Carrier Dynamics For Low Dimensional Heterostructures
59.	Theoretical Study On The Sensing Mechanism Of Fluorescent Chemosensors
60.	Theoretical Investigations Of Photophysical Properties Of Common Metal Fe(?) Complexes And Their Application Prospect Analysis
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