Journal of Physical Organic Chemistry
Effectiveness electronic density‐based descriptor to index hard–hard interaction
Journal of Physical Organic Chemistry, Volume 35, Issue 9, September 2022.
Journal of Physical Organic Chemistry
Removal of erythrosine B dye from wastewater using chitosan boric acid composite material: Experimental and density functional theory findings
Journal of Physical Organic Chemistry, Volume 36, Issue 12, December 2023.
Journal of Physical Organic Chemistry
Mechanistic insights on the radical scavenging activity of oat avenanthramides
Journal of Physical Organic Chemistry, Volume 35, Issue 9, September 2022.
Journal of Physical Organic Chemistry
The mechanisms and molecular properties about isomerization of resin acids, synthesis of acrylopimaric acid based on density functional theory calculation
Journal of Physical Organic Chemistry, Volume 35, Issue 9, September 2022.
Journal of Physical Organic Chemistry
Nonreductive homolytic scission of endoperoxide bond for activation of artemisinin: A parallel mechanism to Heterolytic cleavage
Journal of Physical Organic Chemistry, Volume 35, Issue 9, September 2022.
Journal of Physical Organic Chemistry
Stereoselective cycloaddition of biologically active thioindoline with the smallest nanocage in gas phase versus solution via density functional theory
Journal of Physical Organic Chemistry, Volume 35, Issue 9, September 2022.
Journal of Physical Organic Chemistry
Theoretical study on the mechanism of the benzaldehyde deoxyfluorination by sulfuryl fluoride and tetramethylammonium fluoride
Journal of Physical Organic Chemistry, Volume 35, Issue 8, August 2022.
Journal of Physical Organic Chemistry
Impact of halogens on electronic and photovoltaic properties of organic semiconductors: A multiscale computational modeling
Journal of Physical Organic Chemistry, Volume 35, Issue 8, August 2022.
Journal of Physical Organic Chemistry
The optical spectra of DMAC‐based molecules for organic light‐emitting diodes: Hybrid‐exchange density functional theory study
Journal of Physical Organic Chemistry, Volume 35, Issue 8, August 2022.
Journal of Physical Organic Chemistry
Insights into the influence of functional groups on the properties of graphene from first‐principles calculations
Journal of Physical Organic Chemistry, Volume 35, Issue 8, August 2022.