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Density Functional (DFT) Methods | Gaussian.com
Density Functional (DFT) Methods | Gaussian.com

Hydrazone-based Materials; DFT, TD-DFT, NBO Analysis, Fukui Function, MESP  Analysis, and Solar Cell Applications | SpringerLink
Hydrazone-based Materials; DFT, TD-DFT, NBO Analysis, Fukui Function, MESP Analysis, and Solar Cell Applications | SpringerLink

Molecules | Free Full-Text | A DFT Study on the Excited Electronic States  of Cyanopolyynes: Benchmarks and Applications
Molecules | Free Full-Text | A DFT Study on the Excited Electronic States of Cyanopolyynes: Benchmarks and Applications

How many processors and how much memory should I request for a Gaussian  calculation? - Q&A - Ask.Cyberinfrastructure
How many processors and how much memory should I request for a Gaussian calculation? - Q&A - Ask.Cyberinfrastructure

Gaussian 16 Frequently Asked Questions | Gaussian.com
Gaussian 16 Frequently Asked Questions | Gaussian.com

Los funcionales de intercambio y de correlación
Los funcionales de intercambio y de correlación

Gaussian 16 Frequently Asked Questions | Gaussian.com
Gaussian 16 Frequently Asked Questions | Gaussian.com

PDF] A new hybrid exchange–correlation functional using the  Coulomb-attenuating method (CAM-B3LYP) | Semantic Scholar
PDF] A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP) | Semantic Scholar

Accurate prediction of the properties of materials using the CAM-B3LYP  Density Functional
Accurate prediction of the properties of materials using the CAM-B3LYP Density Functional

Simple computational chemistry: DFT advices
Simple computational chemistry: DFT advices

CONFLEX Interface Manual
CONFLEX Interface Manual

Determining the appropriate exchange-correlation functional for  time-dependent density functional theory studies of charge-transfer  excitations in organic dyes: The Journal of Chemical Physics: Vol 136, No 22
Determining the appropriate exchange-correlation functional for time-dependent density functional theory studies of charge-transfer excitations in organic dyes: The Journal of Chemical Physics: Vol 136, No 22

Influence of gaussian broadening on Franck-Condon lineshapes. B3LYP on... |  Download Scientific Diagram
Influence of gaussian broadening on Franck-Condon lineshapes. B3LYP on... | Download Scientific Diagram

Computational study of linear carbon chain based organic dyes for dye  sensitized solar cells - RSC Advances (RSC Publishing)  DOI:10.1039/D2RA06767F
Computational study of linear carbon chain based organic dyes for dye sensitized solar cells - RSC Advances (RSC Publishing) DOI:10.1039/D2RA06767F

Magnetochemistry | Free Full-Text | DFT Protocol for EPR Prediction of  Paramagnetic Cu(II) Complexes and Application to Protein Binding Sites
Magnetochemistry | Free Full-Text | DFT Protocol for EPR Prediction of Paramagnetic Cu(II) Complexes and Application to Protein Binding Sites

Accurate Molecular Geometries in Complex Excited-State Potential Energy  Surfaces from Time-Dependent Density Functional Theory | Journal of  Chemical Theory and Computation
Accurate Molecular Geometries in Complex Excited-State Potential Energy Surfaces from Time-Dependent Density Functional Theory | Journal of Chemical Theory and Computation

Gaussian 16 Frequently Asked Questions | Gaussian.com
Gaussian 16 Frequently Asked Questions | Gaussian.com

Calculated UV-visible spectra for DPP, PCBM and PDPPCBM using CAM-B3LYP...  | Download Scientific Diagram
Calculated UV-visible spectra for DPP, PCBM and PDPPCBM using CAM-B3LYP... | Download Scientific Diagram

Small Games with Gaussian (4) – Poetry in Physics
Small Games with Gaussian (4) – Poetry in Physics

A Density Functional Theory Protocol for the Calculation of Redox  Potentials of Copper Complexes Liuming Yan , Yi Lu , Xuejiao L
A Density Functional Theory Protocol for the Calculation of Redox Potentials of Copper Complexes Liuming Yan , Yi Lu , Xuejiao L

Theoretical studies on the two-photon absorption of II–VI semiconductor  nano clusters | Scientific Reports
Theoretical studies on the two-photon absorption of II–VI semiconductor nano clusters | Scientific Reports

Systematic study on the TD-DFT calculated electronic circular dichroism  spectra of chiral aromatic nitro compounds: A comparison of B3LYP and CAM- B3LYP - ScienceDirect
Systematic study on the TD-DFT calculated electronic circular dichroism spectra of chiral aromatic nitro compounds: A comparison of B3LYP and CAM- B3LYP - ScienceDirect

Gaussian 16 Frequently Asked Questions | Gaussian.com
Gaussian 16 Frequently Asked Questions | Gaussian.com

Studies of the Ground and Excited-State Surfaces of the Retinal Chromophore  using CAM-B3LYP | The Journal of Physical Chemistry B
Studies of the Ground and Excited-State Surfaces of the Retinal Chromophore using CAM-B3LYP | The Journal of Physical Chemistry B