Add to ORKGThe author would like to thank the Brazilian Agency Funding: CNPq, CAPES and Fundaçăo Araucária
Molecular discovery plays an undeniably important role in technological advancement. The ability to...
A series of push-pull chromophores built around thiophene-based -conjugating spacers and bearing v...
This work reports a theoretical study to investigate the electronic structure and optimized geometry...
In this paper, we used theoretical methods density functional theory to determine the properties of ...
Hartree Fock (HF) and Density Functional Theory (DFT) have been commonly used to model chemical prob...
Polymer is widely used in electrical and electronic applications. To determine the electronic struct...
This work include the study of five molecules. The density function theory at B3LYP with 6-31G (d,p...
Cataloged from PDF version of article.Range-separated hybrid functionals along with global hybrids a...
This thesis deals with theoretical studies of electronic properties of organic conjugated molecules....
The present work deals with the electronic properties of organic molecules in form ring, containing ...
We present here a brief summary of a National Natural Science Foundation Major Project entitled &quo...
This article belongs to the Special Issue 50th Anniversary of the Kohn-Sham Theory—Advances in Densi...
Density functional theory (DFT) calculations are useful to model orbital energies of conjugated poly...
Density functional theory (DFT) calculations are useful to model orbital energies of conjugated poly...
Density functional theory (DFT) calculations are useful to model orbital energies of conjugated poly...
Molecular discovery plays an undeniably important role in technological advancement. The ability to...
A series of push-pull chromophores built around thiophene-based -conjugating spacers and bearing v...
This work reports a theoretical study to investigate the electronic structure and optimized geometry...
In this paper, we used theoretical methods density functional theory to determine the properties of ...
Hartree Fock (HF) and Density Functional Theory (DFT) have been commonly used to model chemical prob...
Polymer is widely used in electrical and electronic applications. To determine the electronic struct...
This work include the study of five molecules. The density function theory at B3LYP with 6-31G (d,p...
Cataloged from PDF version of article.Range-separated hybrid functionals along with global hybrids a...
This thesis deals with theoretical studies of electronic properties of organic conjugated molecules....
The present work deals with the electronic properties of organic molecules in form ring, containing ...
We present here a brief summary of a National Natural Science Foundation Major Project entitled &quo...
This article belongs to the Special Issue 50th Anniversary of the Kohn-Sham Theory—Advances in Densi...
Density functional theory (DFT) calculations are useful to model orbital energies of conjugated poly...
Density functional theory (DFT) calculations are useful to model orbital energies of conjugated poly...
Density functional theory (DFT) calculations are useful to model orbital energies of conjugated poly...
Molecular discovery plays an undeniably important role in technological advancement. The ability to...
A series of push-pull chromophores built around thiophene-based -conjugating spacers and bearing v...
This work reports a theoretical study to investigate the electronic structure and optimized geometry...