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