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Browsing by Author Collins, Michael A.

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01_Netzloff_Ab_initio_energies_of_2007.pdf.jpg

Ab initio energies of nonconducting crystals by systematic fragmentation

Author(s)Netzloff, Heather M.; Collins, Michael A.
TypeJournal article
Date Published5-Oct-2007
Date Created-
01_Moyano_Ab_initio_interpolated_2006.pdf.jpg

Ab initio interpolated potential energy surface and classical reaction dynamics for HCO⁺+H, HOC⁺+H, and deuterated analogues

Author(s)Moyano, Gloria E.; Jones, Seth A.; Collins, Michael A.
TypeJournal article
Date Published28-Mar-2006
Date Created-
01_Collins_Ab_initio_lattice_dynamics_of_2011.pdf.jpg

Ab initio lattice dynamics of nonconducting crystals by systematic fragmentation

Author(s)Collins, Michael A.
TypeJournal article
Date Published29-Apr-2011
Date Created-
01_Zhou_Ab_initio_potential_energy_2011.pdf.jpg

Ab initio potential energy surface and quantum dynamics for the H + CH₄ → H₂+ CH₃ reaction

Author(s)Zhou, Yong; Fu, Bina; Wang, Chunrui, et al
TypeJournal article
Date Published14-Feb-2011
Date Created-
01_Bettens_Ab_initio_potential_energy_2000.pdf.jpg

Ab initio potential energy surface for the reactions between H₂O and H

Author(s)Bettens, Ryan P. A.; Collins, Michael A.; Jordan, Meredith J. T., et al
TypeJournal article
Date Published15-Jun-2000
Date Created-
01_Collins_Accuracy_and_efficiency_of_2006.pdf.jpg

Accuracy and efficiency of electronic energies from systematic molecular fragmentation

Author(s)Collins, Michael A.; Deev, Vitali A.
TypeJournal article
Date Published8-Sep-2006
Date Created-
01_Addicoat_Accurate_treatment_of_2009.pdf.jpg

Accurate treatment of nonbonded interactions within systematic molecular fragmentation

Author(s)Addicoat, Matthew A.; Collins, Michael A.
TypeJournal article
Date Published9-Sep-2009
Date Created-
01_Collins_An_ab_initio_quasi-diabatic_2011.pdf.jpg

An ab initio quasi-diabatic potential energy matrix for OH(²Σ) + H₂

Author(s)Collins, Michael A.; Godsi, Oded; Liu, Shu, et al
TypeJournal article
Date Published19-Dec-2011
Date Created-
01_Netzloff_Growing_multiconfigurational_2006.pdf.jpg

Growing multiconfigurational potential energy surfaces with applications to X+H₂ (X=C,N,O) reactions

Author(s)Netzloff, Heather M.; Collins, Michael A.; Gordon, Mark S.
TypeJournal article
Date Published19-Apr-2006
Date Created-
01_Moyano_Interpolated_potential_energy_2003.pdf.jpg

Interpolated potential energy surface and classical dynamics for H₃⁺+HD and H₃⁺+D₂

Author(s)Moyano, Gloria E.; Collins, Michael A.
TypeJournal article
Date Published15-Sep-2003
Date Created-
01_Moyano_Interpolated_potential_energy_2004.pdf.jpg

Interpolated potential energy surfaces and dynamics for atom exchange between H and H⁺₃, and D and H⁺₃

Author(s)Moyano, Gloria E.; Pearson, David; Collins, Michael A.
TypeJournal article
Date Published22-Dec-2004
Date Created-
01_Godsi_Interpolation_of_2006.pdf.jpg

Interpolation of multidimensional diabatic potential energy matrices

Author(s)Godsi, Oded; Evenhuis, Christian R.; Collins, Michael A.
TypeJournal article
Date Published11-Sep-2006
Date Created-
01_Frankcombe_Modified_Shepard_interpolation_2012.pdf.jpg

Modified Shepard interpolation of gas-surface potential energy surfaces with strict plane group symmetry and translational periodicity

Author(s)Frankcombe, Terry J.; Collins, Michael A.; Zhang, Dong H.
TypeJournal article
Date Published9-Oct-2012
Date Created-
01_Collins_Molecular_forces,_geometries,_2014.pdf.jpg

Molecular forces, geometries, and frequencies by systematic molecular fragmentation including embedded charges

Author(s)Collins, Michael A.
TypeJournal article
Date Published5-Sep-2014
Date Created-
01_Moyano_Molecular_potential_energy_2004.pdf.jpg

Molecular potential energy surfaces by interpolation: Strategies for faster convergence

Author(s)Moyano, Gloria E.; Collins, Michael A.
TypeJournal article
Date Published22-Nov-2004
Date Created-
01_Collins_Molecular_potential_energy_2007.pdf.jpg

Molecular potential energy surfaces constructed from interpolation of systematic fragment surfaces

Author(s)Collins, Michael A.
TypeJournal article
Date Published10-Jul-2007
Date Created-
01_Collins_Proton-transport_catalysis_and_2000.pdf.jpg

Proton-transport catalysis and proton-abstraction reactions: An ab initio dynamical study of X+HOC[sup +] and XH[sup +]+CO (X=Ne, Ar, and Kr)

Author(s)Collins, Michael A.; Petrie, Simon; Chalk, Andrew, et al
TypeJournal article
Date Published15-Apr-2000
Date Created-
01_Collins_Proton-transport_catalysis,_2003.pdf.jpg

Proton-transport catalysis, proton abstraction, and proton exchange in HF+HOC⁺ and H₂O+HOC⁺ and analogous deuterated reactions

Author(s)Collins, Michael A.; Radom, Leo
TypeJournal article
Date Published8-Apr-2003
Date Created-
01_Godsi_Quantum_grow—A_quantum_2010.pdf.jpg

Quantum grow—A quantum dynamics sampling approach for growing potential energy surfaces and nonadiabatic couplings

Author(s)Godsi, Oded; Collins, Michael A.; Peskin, Uri
TypeJournal article
Date Published25-Mar-2010
Date Created-
01_Brouard_The_dynamics_of_the_2003.pdf.jpg

The dynamics of the H+D₂O→OD+HD reaction at 2.5 eV: experiment and theory

Author(s)Brouard, M.; Burak, I; Minayev, D., et al
TypeJournal article
Date Published15-Jan-2003
Date Created-

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