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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

Experimental and theoretical DFT (B3LYP, X3LYP, CAM-B3LYP and M06-2X) study  on electronic structure, spectral features, hydrogen
Experimental and theoretical DFT (B3LYP, X3LYP, CAM-B3LYP and M06-2X) study on electronic structure, spectral features, hydrogen

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

Importance of Dispersion in the Molecular Geometries of Mn(III) Spin  Crossover Complexes
Importance of Dispersion in the Molecular Geometries of Mn(III) Spin Crossover Complexes

Density Functional Theory for Charge Transfer: The Nature of the N-Bands of  Porphyrins and Chlorophylls Revealed through CAM-B3LYP, CASPT2, and SAC-CI  Calculations | The Journal of Physical Chemistry B
Density Functional Theory for Charge Transfer: The Nature of the N-Bands of Porphyrins and Chlorophylls Revealed through CAM-B3LYP, CASPT2, and SAC-CI Calculations | The Journal of Physical Chemistry B

Easy to Use DFT Approach for Computational pKa Determination of Carboxylic  Acids - Pezzola - 2024 - Chemistry – A European Journal - Wiley Online  Library
Easy to Use DFT Approach for Computational pKa Determination of Carboxylic Acids - Pezzola - 2024 - Chemistry – A European Journal - Wiley Online Library

a) B3LYP and (b) CAM-B3LYP S 0 → S 1 vibronic spectra computed with:... |  Download Scientific Diagram
a) B3LYP and (b) CAM-B3LYP S 0 → S 1 vibronic spectra computed with:... | Download Scientific Diagram

TD CAM-B3LYP and TD B3LYP S 1 total energy MEPs compared with RI-CC2... |  Download Scientific Diagram
TD CAM-B3LYP and TD B3LYP S 1 total energy MEPs compared with RI-CC2... | Download Scientific Diagram

CAM-B3LYP/def2-TZVPP profiles of the potential energy surfaces for... |  Download Scientific Diagram
CAM-B3LYP/def2-TZVPP profiles of the potential energy surfaces for... | Download Scientific Diagram

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

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

Effect of Exchange–correlation Functionals on Ground State Geometries,  Optoelectronic and Charge Transfer of Triphenylamine-ba
Effect of Exchange–correlation Functionals on Ground State Geometries, Optoelectronic and Charge Transfer of Triphenylamine-ba

Easy to Use DFT Approach for Computational pKa Determination of Carboxylic  Acids - Pezzola - 2024 - Chemistry – A European Journal - Wiley Online  Library
Easy to Use DFT Approach for Computational pKa Determination of Carboxylic Acids - Pezzola - 2024 - Chemistry – A European Journal - Wiley Online Library

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

NPA charges using the CAM-B3LYP-D3 method for the ground state in the... |  Download Scientific Diagram
NPA charges using the CAM-B3LYP-D3 method for the ground state in the... | Download Scientific Diagram

Avaliação do funcional CAM-B3LYP e Pseudo-Potenciais pStuttgart no Cálculo  de Polarizabilidades Moleculares
Avaliação do funcional CAM-B3LYP e Pseudo-Potenciais pStuttgart no Cálculo de Polarizabilidades Moleculares

Occupied and virtual orbitals (CAM-B3LYP level of theory) giving the... |  Download Scientific Diagram
Occupied and virtual orbitals (CAM-B3LYP level of theory) giving the... | Download Scientific Diagram

Density functional theory investigation on iridium( iii ) complexes for  efficient blue electrophosphorescence - RSC Advances (RSC Publishing)  DOI:10.1039/C8RA02858C
Density functional theory investigation on iridium( iii ) complexes for efficient blue electrophosphorescence - RSC Advances (RSC Publishing) DOI:10.1039/C8RA02858C

Accurate prediction of the properties of materials using the CAM‐B3LYP  density functional - Li - 2021 - Journal of Computational Chemistry - Wiley  Online Library
Accurate prediction of the properties of materials using the CAM‐B3LYP density functional - Li - 2021 - Journal of Computational Chemistry - Wiley Online Library

Plots of the CAM-B3LYP/6-311G(d,p) molecular orbitals contributing... |  Download Scientific Diagram
Plots of the CAM-B3LYP/6-311G(d,p) molecular orbitals contributing... | Download Scientific Diagram

Non-empirical tuning of CAM-B3LYP functional in time-dependent density  functional theory for excitation energies of diarylethene derivatives -  ScienceDirect
Non-empirical tuning of CAM-B3LYP functional in time-dependent density functional theory for excitation energies of diarylethene derivatives - ScienceDirect

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

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

IJMS | Free Full-Text | Optical Properties of Silver-Mediated DNA from  Molecular Dynamics and Time Dependent Density Functional Theory
IJMS | Free Full-Text | Optical Properties of Silver-Mediated DNA from Molecular Dynamics and Time Dependent Density Functional Theory