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Andrew Sirjoosingh

Showing results (1-10 of 11) with videos related to

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The Journal of Physical Chemistry. A|March 1, 2011
Proton-coupled electron transfer versus hydrogen atom transfer: generation of charge-localized diabatic statesAndrew Sirjoosingh, Sharon Hammes-Schiffer
Journal of Chemical Theory and Computation|November 26, 2015
Diabatization Schemes for Generating Charge-Localized Electron-Proton Vibronic States in Proton-Coupled Electron Transfer SystemsAndrew Sirjoosingh, Sharon Hammes-Schiffer
The Journal of Physical Chemistry. B|May 21, 2009
Molecular dynamics simulations of equilibrium and transport properties of amino acid-based room temperature ionic liquidsAndrew Sirjoosingh, Saman Alavi, Tom K Woo
The Journal of Chemical Physics|May 16, 2012
Multicomponent density functional theory study of the interplay between electron-electron and electron-proton correlationAndrew Sirjoosingh, Michael V Pak, Sharon Hammes-Schiffer
Journal of Chemical Theory and Computation|November 26, 2015
Derivation of an Electron-Proton Correlation Functional for Multicomponent Density Functional Theory within the Nuclear-Electronic Orbital ApproachAndrew Sirjoosingh, Michael V Pak, Sharon Hammes-Schiffer
The Journal of Chemical Physics|June 8, 2015
Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systemsKurt R Brorsen, Andrew Sirjoosingh, Michael V Pak, et al.
The Journal of Chemical Physics|July 26, 2013
Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: theoretical formulationAndrew Sirjoosingh, Michael V Pak, Chet Swalina, et al.
The Journal of Chemical Physics|July 26, 2013
Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: applications to positronic molecular systemsAndrew Sirjoosingh, Michael V Pak, Chet Swalina, et al.
The Journal of Chemical Physics|June 8, 2015
Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approachAndrew Sirjoosingh, Michael V Pak, Kurt R Brorsen, et al.
Nanoscale|October 27, 2012
A catalytically driven organometallic molecular motorRyan A Pavlick, Krishna K Dey, Andrew Sirjoosingh, et al.
Pageof 2

Showing results (1-10 of 11) with videos related to

Sort By:
Pageof 2
The Journal of Physical Chemistry. A|March 1, 2011
Proton-coupled electron transfer versus hydrogen atom transfer: generation of charge-localized diabatic statesAndrew Sirjoosingh, Sharon Hammes-Schiffer
Journal of Chemical Theory and Computation|November 26, 2015
Diabatization Schemes for Generating Charge-Localized Electron-Proton Vibronic States in Proton-Coupled Electron Transfer SystemsAndrew Sirjoosingh, Sharon Hammes-Schiffer
The Journal of Physical Chemistry. B|May 21, 2009
Molecular dynamics simulations of equilibrium and transport properties of amino acid-based room temperature ionic liquidsAndrew Sirjoosingh, Saman Alavi, Tom K Woo
The Journal of Chemical Physics|May 16, 2012
Multicomponent density functional theory study of the interplay between electron-electron and electron-proton correlationAndrew Sirjoosingh, Michael V Pak, Sharon Hammes-Schiffer
Journal of Chemical Theory and Computation|November 26, 2015
Derivation of an Electron-Proton Correlation Functional for Multicomponent Density Functional Theory within the Nuclear-Electronic Orbital ApproachAndrew Sirjoosingh, Michael V Pak, Sharon Hammes-Schiffer
The Journal of Chemical Physics|June 8, 2015
Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systemsKurt R Brorsen, Andrew Sirjoosingh, Michael V Pak, et al.
The Journal of Chemical Physics|July 26, 2013
Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: theoretical formulationAndrew Sirjoosingh, Michael V Pak, Chet Swalina, et al.
The Journal of Chemical Physics|July 26, 2013
Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: applications to positronic molecular systemsAndrew Sirjoosingh, Michael V Pak, Chet Swalina, et al.
The Journal of Chemical Physics|June 8, 2015
Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approachAndrew Sirjoosingh, Michael V Pak, Kurt R Brorsen, et al.
Nanoscale|October 27, 2012
A catalytically driven organometallic molecular motorRyan A Pavlick, Krishna K Dey, Andrew Sirjoosingh, et al.
Pageof 2