Publications
Determination Of Molecular Vibrational State Energies Using The Ab Initio Semiclassical Initial Value Representation: Application To Formaldehyde. The Journal of chemical physics 2011, 134, 094110.
. Coupled Cation–Anion Dynamics Enhances Cation Mobility In Room-Temperature Superionic Solid-State Electrolytes. Journal of the American Chemical Society 2019, 141, 19360–19372.
. Connection Between The Observable And Centroid Structural Properties Of A Quantum Fluid: Application To Liquid Para-Hydrogen. The Journal of chemical physics 2004, 120, 3759–3764.
. Connection Between The Observable And Centroid Structural Properties Of A Quantum Fluid: Application To Liquid Para-Hydrogen. The Journal of chemical physics 2004, 120, 3759–3764.
. Connection Between The Observable And Centroid Structural Properties Of A Quantum Fluid: Application To Liquid Para-Hydrogen. The Journal of chemical physics 2004, 120, 3759–3764.
. Conformational Studies Of Methyl Β-D-Arabinofuranoside Using The Amber/Glycam Approach. Journal of chemical theory and computation 2009, 5, 430–438.
. Conformational Studies Of Methyl Β-D-Arabinofuranoside Using The Amber/Glycam Approach. Journal of chemical theory and computation 2009, 5, 430–438.
. Conformational Studies Of Methyl $\Beta$-D-Arabinofuranoside Using The Amber/Glycam Approach. Journal of chemical theory and computation 2009, 5, 430–438.
. Conformational Analysis Of Oligoarabinofuranosides: Overcoming Torsional Barriers With Umbrella Sampling. Journal of chemical theory and computation 2011, 7, 2989–3000.
. Conformational Analysis Of Oligoarabinofuranosides: Overcoming Torsional Barriers With Umbrella Sampling. Journal of chemical theory and computation 2011, 7, 2989–3000.
. Conformational Analysis Of Oligoarabinofuranosides: Overcoming Torsional Barriers With Umbrella Sampling. Journal of chemical theory and computation 2011, 7, 2989–3000.
. Conformational Analysis Of Arabinofuranosides: Prediction Of 3 Jh, H Using Md Simulations With Dft-Derived Spin- Spin Coupling Profiles. Journal of chemical theory and computation 2010, 6, 212–222.
. Conformational Analysis Of Arabinofuranosides: Prediction Of 3 Jh, H Using Md Simulations With Dft-Derived Spin- Spin Coupling Profiles. Journal of chemical theory and computation 2009, 6, 212–222.
. Conformational Analysis Of Arabinofuranosides: Prediction Of 3 Jh, H Using Md Simulations With Dft-Derived Spin- Spin Coupling Profiles. Journal of chemical theory and computation 2009, 6, 212–222.
. Confinement Effects On Water's Nuclear Spin Isomer Conversion. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2019; Vol. 258.
. Confinement Effects On Water’s Nuclear Spin Isomer Conversion. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2019; Vol. 258.
. Confined Molecules: Thermodynamic Properties From Simulations. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2019; Vol. 257.
. Comparison Of The Multi-Layer Multi-Configuration Time-Dependent Hartree (Ml-Mctdh) Method And The Density Matrix Renormalization Group (Dmrg) For Ground State Properties Of Linear Rotor Chains. The Journal of Chemical Physics 2021, 154, 174106.
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