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Publications in Theoretical Chemistry

The Connection Between Resonances and Bound States in the Presence of a Coulomb Potential

Journal of Physical Chemistry A

Theoretical Chemistry

English

Combined Experimental and Computational Study on the Unimolecular Decomposition of JP-8 Jet Fuel Surrogates. I.n-Decane (N-C10h22)

Journal of Physical Chemistry A

Theoretical Chemistry

English

Issue Publication Information

Journal of Physical Chemistry A

Theoretical Chemistry

English

Sub-100 Fs Intersystem Crossing to a Metal-Centered Triplet in Ni(II)OEP Observed With M-Edge XANES

Journal of Physical Chemistry A

Theoretical Chemistry

English

Large Scale Free Energy Calculations for Blind Predictions of Protein–ligand Binding: The D3R Grand Challenge 2015

Journal of Computer-Aided Molecular Design

Theoretical Chemistry

Computer Science Applications

English

Temperature Dependence of Two Key Interstellar Reactions of H3+: O(3P) + H3+and CO + H3+

Journal of Physical Chemistry A

Theoretical Chemistry

English

Kinetic Barriers in the Isomerization of Substituted Ureas: Implications for Computer-Aided Drug Design

Journal of Computer-Aided Molecular Design

Theoretical Chemistry

Computer Science Applications

English

Statistical Thermodynamic Model for Surface Tension of Organic and Inorganic Aqueous Mixtures

Journal of Physical Chemistry A

Theoretical Chemistry

English

Hydrogen-Bond Strengthening Upon Photoinduced Electron Transfer in Ruthenium–Anthraquinone Dyads Interacting With Hexafluoroisopropanol or Water

Journal of Physical Chemistry A

Theoretical Chemistry

English

Pseudopotential-Based Correlation Consistent Composite Approach (Rp-ccCA) for First- And Second-Row Transition Metal Thermochemistry

Journal of Physical Chemistry A

Theoretical Chemistry

English