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Publications in Theoretical Chemistry

Exploring Ultraviolet Photoinduced Charge-Transfer Dynamics in a Model Dinucleotide of Guanine and Thymine

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2019English

H2storage in Isostructural UiO-67 and UiO-66 MOFs

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2012English

Heme Isomers Substantially Affect Heme's Electronic Structure and Function

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2017English

On the Modeling of Aggregates of an Optically Active Regioregular Polythiophene

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2012English

Direct Kinetics Study of CH2OO + Methyl Vinyl Ketone and CH2OO + Methacrolein Reactions and an Upper Limit Determination for CH2OO + CO Reaction

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2018English

Thermal Stability of Dialkylimidazolium Tetrafluoroborate and Hexafluorophosphate Ionic Liquids: Ex Situ Bulk Heating to Complement in Situ Mass Spectrometry

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2018English

Reversible Switching of the Spin State in a Manganese Phthalocyanine Molecule by Atomic Nitrogen

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2017English

Oxide – Organic Heterostructures: A Case Study of Charge Displacement Absence at a SnO2 – Copper Phthalocyanine Buried Interface

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2018English

The Effect of Dispersion Forces on the Interaction Energies and Far Infrared Spectra of Protic Ionic Liquids

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2015English

Escape of Anions From Geminate Recombination in THF Due to Charge Delocalization

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2017English

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