京东 11.11 红包
61_How to calculate the oxidation state of transition metal using Gaussian 09W o
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20_How to Calculate HOMO LUMO Energy Gap
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16_How to Model MXene and MXene supported single atom catalysts
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19_How to find energy of frontier orbital energies from Gaussian 09 output files
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15_Energy minimization of molecules using Chem3D for Molecular Docking - Chem3D
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18_Basis set for f block elements #computationalchemistry #machinelearning #vasp
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41_How to download crystal structures from material project websites and CCDC-IC
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67_How to perform and plot IR spectrum using Gaussian 09W and Multiwfn - Infrare
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38_ZIF-8 Crystal Structure - Zeolitic imidazolate framework (ZIF)_with_subtitles
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66_How to do and plot anharmonic Raman spectrum using Gaussian and Multiwfn - An
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08_How to Perform Density of States Calculation in VASP and VASPKIT
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36_How to calculate spin multiplicity for Gaussian 16 Calculation_with_subtitles
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14_How to Perform AIMD Calculation in VASP and Analysis with VASPKIT and VMD
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51_How to perform and plot ECD spectrum using Gaussian 09W and Multiwfn - Electr
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35_How to calculate EPR parameters from Gaussian 09W - Electron Paramagnetic Res
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29_How to Calculate Electronegativity by Gaussian 09 #gaussian
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11_How to Perform BAND Structure Calculation in VASP and Analysis with VASPKIT
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12_How to Predict NMR in ChemDraw
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60_How to do DFT calculation in different temperatures and pressures using Gauss
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30_How to check plagiarism in turnitin
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01_How to Setting up a Gaussian 16 or 09 Calculation for Beginners
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45_How to plot the real 1H-NMR spectrum using Gaussian16 and Multiwfn - Gaussian
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32_How to do solvation energy calculation using Gaussian 09w and g16 - SCRF=(SMD
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04_How to Perform Electron Localization Function ELF in VASP and Analysis
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63_How to Calculate the Vertical Ionization Energy of Molecules or Clusters usin
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70_How to Perform DFT-U Calculations in VASP_with_subtitles
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50_How to perform and plot Raman spectrum using Gaussian 09W and Multiwfn - Rama
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07_How to Concatenate Three or more POTCAR Files for VASP Calculation
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09_How to Create Input file for Gaussian 09 Calculation and Geometry Optimizatio
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22_How to make colorful HOMO and LUMO FMOs
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52_How to do and plot anharmonic-IR spectrum using Gaussian 09W and Multiwfn - a
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62_How to perform and plot the photoelectron spectrum PES using Gaussian 09W or
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05_How to calculate surface energy of transition metal nanoparticle
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33_How to make rutile-TiO2-Water interface using Material Studio for Molecular
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64_How to calculate and specify the spin multiplicity for radical systems Gaussi
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13_How to find the vibrational frequency of gas phase molecule
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06_How to Perform Electron Density Differences Calculation in VASP and Analysis
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47_How to download crystal structures from material project websites and CCDC-IC
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37_How to convert Conventional cell to Primitive cell for VASP Band Structure Ca
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25_How to do spin density calculation using Gaussian 09W or G16_with_subtitles
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21_How to create Molecular Electrostatic Potential using GaussView