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 Density functional theory Hardness Molecular geometry X-ray crystallography Quantum mechanics Photoelectric effect Mathematical optimization Mass spectrometry Intersystem crossing HOMO/LUMO Time-dependent density functional theory Adsorption Band gap Carbon Scanning electron microscope Ultimate tensile strength Welding Transmission electron microscopy Ligand Nuclear magnetic resonance Spectroscopy Infrared spectroscopy Classical mechanics Physics Algorithm Electrode Ion Solar cell Genetic algorithm Particle swarm optimization Finite element method Topology Protein High-performance liquid chromatography Ionization Gas chromatography Acetonitrile Uranium Stokes shift Molecular orbital
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The publications listed also have these subjects
Density functional theory  5 times
Hardness  4 times
Molecular geometry  3 times
X-ray crystallography  2 times
Quantum mechanics  2 times
Photoelectric effect  2 times
Mathematical optimization  2 times
Mass spectrometry  2 times
HOMO/LUMO  2 times
Coordination polymer  2 times
Zinc sulfide  1 time
X-ray scattering techniques  1 time
Ultraviolet  1 time
Triazole  1 time
Transmission electron microscopy  1 time
Thermogravimetric analysis  1 time
Spectroscopy  1 time
Solar cell  1 time
Pyridine  1 time
Phthalocyanine  1 time
Photodissociation  1 time
Nuclear magnetic resonance  1 time
Nanoparticle  1 time
Laser  1 time
Ionization  1 time
Infrared spectroscopy  1 time
Heat capacity  1 time
Harmonic oscillator  1 time
Gibbs free energy  1 time
Gas chromatography  1 time
Femtosecond  1 time
Essential oil  1 time
Entropy  1 time
Enthalpy  1 time
Emission spectrum  1 time
Electronegativity  1 time
Electron affinity  1 time
Dopant  1 time
Dielectric  1 time
Cyclohexane  1 time
Curcumin  1 time
Chemical potential  1 time
Carbon  1 time
Blueshift  1 time
Benzene  1 time
Band gap  1 time
Anisotropy  1 time
Aluminium chloride  1 time
Acid  1 time
Acetonitrile  1 time

Publications tagged with this subject: 12

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1. A theoretical study of the low-lying excited states and the photophysics of dimethoxy curcumin in cyclohexane and acetonitrile

2. DFT and TD-DFT investigations of organic dye with different π-spacer used for solar cell

3. Photoreactivity, Optical Behavior and DFT Studies of 2,5-Bis[4-choloro-acetyl(thiophen-2-ylmethylene)]cyclopentanone BCTCP in Different Solvents

4. Theoretical study on electronic structures, spectra, and charge transporting properties of two Pt(II) complexes with triazenido ligands

5. Structural and Photophysical Properties of a Cd(II) Coordination Polymer Based on Mixed Aromatic Ligands: A Combined Experimental and Theoretical Study

6. A study of the optical band gap of zinc phthalocyanine nanoparticles using UV–Vis spectroscopy and DFT function

7. A New Copper(I) Complex Based on 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole: Synthesis, Crystal Structure, Theoretical Study, Thermal Behavior and Luminescence

8. Triphenylamine-Based Fluorescent Styryl Dyes: DFT, TD-DFT and Non-Linear Optical Property Study

9. XPS study of the electronic structure of the diamagnetic p-nitroaniline molecule and the 4,4,5,5-tetramethyl-2-phenyl-4,5-dihydro-1H-imidasol-3-oxide-1-oxyl nitroxide radical

10. Experimental and theoretical description of the optical properties of Myrcia sylvatica essential oil

11. Spectroscopic and chemical reactivity analysis of D-Myo-Inositol using quantum chemical approach and its experimental verification

12. Electron dynamics and optical properties modulation of monolayer MoS2 by femtosecond laser pulse: a simulation using time-dependent density functional theory


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