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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

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

DFT in Gaussian | PDF | Computational Chemistry | Density Functional Theory
DFT in Gaussian | PDF | Computational Chemistry | Density Functional Theory

Tuned CAM-B3LYP functional in the time-dependent density functional theory scheme for excitation energies and properties of diarylethene derivatives - ScienceDirect
Tuned CAM-B3LYP functional in the time-dependent density functional theory scheme for excitation energies and properties of diarylethene derivatives - ScienceDirect

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

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

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

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

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

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

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

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

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

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

CONFLEX Interface Manual
CONFLEX Interface Manual

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

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

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

Gaussian16 - HPC SYSTEMS Inc.
Gaussian16 - HPC SYSTEMS Inc.

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

ASM2019: Poster (P63)
ASM2019: Poster (P63)

CONFLEX Interface Manual
CONFLEX Interface Manual

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

Determination of the best functional and basis sets for optimization of the structure of hypervalent iodines and calculation of their first and second bond dissociation enthalpies - Matsumoto - 2019 - Journal
Determination of the best functional and basis sets for optimization of the structure of hypervalent iodines and calculation of their first and second bond dissociation enthalpies - Matsumoto - 2019 - Journal