Publications

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Author Title Type [ Year(Asc)]
2007
Seo, M. ; Kitova, E. N. ; Klassen, J. S. ; Roy, P. - N. . Phys 434-Intermolecular Interactions Of Charged Protein-Ligand Complexes In The Gas Phase: A Molecular Dynamics Study. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2007; Vol. 234.
Blinov, N. ; Roy, P. - N. . Rotations And Exchange In Doped Helium Clusters: Insight From Imaginary-Time Correlation Functions. In; 2007.
Issack, B. B. ; Roy, P. - N. . Geometric Constraints In Semiclassical Initial Value Representation Calculations In Cartesian Coordinates: Excited States. The Journal of chemical physics 2007, 126, 024111.
Issack, B. B. ; Roy, P. - N. . Quantum Molecular Dynamics Of Hydrogen Bonded Complexes Of Rigid Molecules Using The Semiclassical Initial Value Representation In Cartesian Coordinates. The Journal of chemical physics 2007, 127, 054105.
Issack, B. B. ; Roy, P. - N. . Semiclassical Initial Value Representation Treatment Of A Hydrogen Bonded Complex Of Rigid Water Molecules From A Single Trajectory In Cartesian Coordinates. The Journal of chemical physics 2007, 127, 144306.
Issack, B. B. ; Roy, P. - N. . Geometric Constraints In Semiclassical Initial Value Representation Calculations In Cartesian Coordinates: Excited States. The Journal of chemical physics 2007, 126, 024111.
Issack, B. B. ; Roy, P. - N. . Quantum Molecular Dynamics Of Hydrogen Bonded Complexes Of Rigid Molecules Using The Semiclassical Initial Value Representation In Cartesian Coordinates. The Journal of chemical physics 2007, 127, 054105.
Issack, B. B. ; Roy, P. - N. . Semiclassical Initial Value Representation Treatment Of A Hydrogen Bonded Complex Of Rigid Water Molecules From A Single Trajectory In Cartesian Coordinates. The Journal of chemical physics 2007, 127, 144306.
2006
Huh, Y. ; Roy, P. - N. . Inclusion Of Inversion Symmetry In Centroid Molecular Dynamics: A Possible Avenue To Recover Quantum Coherence. The Journal of chemical physics 2006, 125, 164103.
Roy, P. - N. . Molecular Dynamics With Quantum Statistics: Time Correlation Functions And Weakly Bound Nano-Clusters. Theoretical Chemistry Accounts 2006, 116, 274–280.
Cuervo, J. E. ; Roy, P. - N. . Path Integral Ground State Study Of Finite-Size Systems: Application To Small (Parahydrogen) N (N= 2–20) Clusters. The Journal of chemical physics 2006, 125, 124314.
Xu, Y. ; Blinov, N. ; Jäger, W. ; Roy, P. - N. . Recurrences In Rotational Dynamics And Experimental Measurement Of Superfluidity In Doped Helium Clusters, 2006, 124, 081101.
Topic, W. ; Jäger, W. ; Blinov, N. ; Roy, P. - N. ; Botti, M. ; Moroni, S. . Rotational Spectrum Of Cyanoacetylene Solvated With Helium Atoms. The Journal of chemical physics 2006, 125, 144310.
Nightingale, M. P. ; Roy, P. - N. . Excited States Of Weakly Bound Bosonic Clusters: Discrete Variable Representation And Quantum Monte Carlo. The Journal of Physical Chemistry A 2006, 110, 5391–5394.
Roy, P. - N. ; Blinov, N. . Molecular Rotation In Doped Quantum Clusters. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2006; Vol. 231.
Huh, Y. ; Roy, P. - N. . Inclusion Of Inversion Symmetry In Centroid Molecular Dynamics. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2006; Vol. 231.
Blinov, N. ; Roy, P. - N. ; Jäger, W. . Recurrences In Rotational Dynamics And Superfluid Response In Doped He-Hcccn And He-N 2 O Clusters. In APS March Meeting Abstracts; 2006; pp. P11–002.
Huh, Y. ; Roy, P. - N. . Inclusion Of Inversion Symmetry In Centroid Molecular Dynamics: A Possible Avenue To Recover Quantum Coherence. The Journal of chemical physics 2006, 125, 164103.
Roy, P. - N. . Molecular Dynamics With Quantum Statistics: Time Correlation Functions And Weakly Bound Nano-Clusters. Theoretical Chemistry Accounts 2006, 116, 274–280.
Nightingale, M. P. ; Roy, P. - N. . Excited States Of Weakly Bound Bosonic Clusters: Discrete Variable Representation And Quantum Monte Carlo. The Journal of Physical Chemistry A 2006, 110, 5391–5394.

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