Importance of Dispersion in the Molecular Geometries of Mn(III) Spin Crossover Complexes
Density functional theory investigation on iridium( iii ) complexes for efficient blue electrophosphorescence - RSC Advances (RSC Publishing) DOI:10.1039/C8RA02858C
Avaliação do funcional CAM-B3LYP e Pseudo-Potenciais pStuttgart no Cálculo de Polarizabilidades Moleculares
CAM-B3LYP/def2-TZVPP profiles of the potential energy surfaces for... | Download Scientific Diagram
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
Easy to Use DFT Approach for Computational pKa Determination of Carboxylic Acids - Pezzola - 2024 - Chemistry – A European Journal - Wiley Online Library
IJMS | Free Full-Text | Optical Properties of Silver-Mediated DNA from Molecular Dynamics and Time Dependent Density Functional Theory
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
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PDF] A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP) | Semantic Scholar
Molecules | Free Full-Text | Designing Efficient Metal-Free Dye-Sensitized Solar Cells: A Detailed Computational Study
Testing exchange–correlation functionals at fractional electron numbers | Theoretical Chemistry Accounts
NPA charges using the CAM-B3LYP-D3 method for the ground state in the... | Download Scientific Diagram
![PDF] A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP) | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/5aece2521de4ba4084cb9b44f13cdb20c5c6b556/4-Table3-1.png "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 - Li - 2021 - Journal of Computational Chemistry - Wiley Online Library
Non-empirical tuning of CAM-B3LYP functional in time-dependent density functional theory for excitation energies 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
Effect of Exchange–correlation Functionals on Ground State Geometries, Optoelectronic and Charge Transfer of Triphenylamine-ba
Long‐Range Corrected DFT Calculations of First Hyperpolarizabilities and Excitation Energies of Metal Alkynyl Complexes - Kodikara - 2018 - ChemPhysChem - Wiley Online Library
CAM-B3LYP Delivers Substantial Improvements to DFT and G0W0 Predictions of Bandgap and Spectroscopic Properties of 2D and 3D Materials | Research NYU Shanghai
Molecules | Free Full-Text | A DFT Study on the Excited Electronic States of Cyanopolyynes: Benchmarks and Applications
Evaluation of Common Theoretical Methods for Predicting Infrared Multiphotonic Dissociation Vibrational Spectra of Intramolecular Hydrogen-Bonded Ions | ACS Omega
Studies of the Ground and Excited-State Surfaces of the Retinal Chromophore using CAM-B3LYP | The Journal of Physical Chemistry B
Systematic study on the TD-DFT calculated electronic circular dichroism spectra of chiral aromatic nitro compounds: A comparison of B3LYP and CAM- B3LYP - ScienceDirect
The optimized geometry structure using DFT/CAM-B3LYP with the... | Download Scientific Diagram
TD-DFT (CAM-B3LYP)/3-21G ECD spectra of (a) oligomers of different... | Download Scientific Diagram
