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Publications in Theoretical Chemistry
The Correlated Electronic States of a Few Polycyclic Aromatic Hydrocarbons: A Computational Study
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
Predicting Structures of Ru-Centered Dyes: A Computational Screening Tool
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
Correct Symmetry Treatment for X+X Reactions Prevents Large Errors in Predicted Isotope Enrichment
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
Quantum Yields for Photochemical Production of NO2from Organic Nitrates at Tropospherically Relevant Wavelengths
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
Valence Virtual Orbitals: An Unambiguous Ab Initio Quantification of the LUMO Concept
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
Temperature and Pressure Dependences of the Reactions of Fe+ With Methyl Halides CH3X (X = Cl, Br, I): Experiments and Kinetic Modeling Results
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
Geometric and Electronic Structures of Dibenzo-15-Crown-5 Complexes With Alkali Metal Ions Studied by UV Photodissociation and UV–UV Hole-Burning Spectroscopy
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
Effect of Basic Site Substituents on Concerted Proton–Electron Transfer in Hydrogen-Bonded Pyridyl–Phenols
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
Issue Editorial Masthead
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
The Metal Hydride Problem of Computational Chemistry: Origins and Consequences
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
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