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Publications by M. V. Frash
Density Functional and Hartree−Fock Calculations on the Cyclopropane Ring Intermediates Involved in the Zeolite-Catalyzed Skeletal Isomerization of Hydrocarbons and in the Carbon Isotope Scrambling in 2-Propyl Cation
Journal of Physical Chemistry B
Surfaces
Theoretical Chemistry
Materials Chemistry
Films
Medicine
Coatings
Physical
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Fully Numerical Hartree‐Fock and Density Functional Calculations. II. Diatomic Molecules
International Journal of Quantum Chemistry
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Comparison of Ring Currents Evaluated Consistently at Density Functional and Hartree–Fock Levels
Molecular Physics
Theoretical Chemistry
Biophysics
Condensed Matter Physics
Molecular Biology
Physical
Antiferromagnetic Superexchange Via3dstates of Titanium in EuTiO3as Seen From Hybrid Hartree-Fock Density Functional Calculations
Physical Review B
Density Functional Theory Studies on the Skeletal Isomerization of 1-Butene Catalyzed by HZSM-23 and HZSM-48 Zeolites
RSC Advances
Chemistry
Chemical Engineering
Cation and Magnetic Orders in MnFe2O4 From Density Functional Calculations
Journal of Applied Physics
Astronomy
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Incorporating Brueckner-Hartree-Fock Correlations in Energy Density Functionals
Physical Review C
High Energy Physics
Nuclear
Real Versus Artifactual Symmetry-Breaking Effects in Hartree–Fock, Density-Functional, and Coupled-Cluster Methods
Journal of Chemical Physics
Medicine
Theoretical Chemistry
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Physics
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Hartree-Fock Method Posed as a Density-Functional Theory: Application to the Be Atom
Physical Review A
Multiconfigurational Hartree-Fock Calculations of Hyperfine-Induced Transitions in Heliumlike Ions
Physical Review A
