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Marie L Laury

Showing results (1-10 of 18) with videos related to

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The Journal of Chemical Physics|December 13, 2012
Examining the heavy p-block with a pseudopotential-based composite method: atomic and molecular applications of rp-ccCAMarie L Laury, Angela K Wilson
Journal of Chemical Theory and Computation|November 24, 2015
Performance of Density Functional Theory for Second Row (4d) Transition Metal ThermochemistryMarie L Laury, Angela K Wilson
The Journal of Physical Chemistry. A|May 23, 2015
Pseudopotential-Based Correlation Consistent Composite Approach (rp-ccCA) for First- and Second-Row Transition Metal ThermochemistrySivabalan Manivasagam, Marie L Laury, Angela K Wilson
Journal of Computational Chemistry|July 21, 2012
Vibrational frequency scale factors for density functional theory and the polarization consistent basis setsMarie L Laury, Matthew J Carlson, Angela K Wilson
Journal of Computer-Aided Molecular Design|November 3, 2020
AMOEBA binding free energies for the SAMPL7 TrimerTrip host-guest challengeYuanjun Shi, Marie L Laury, Zhi Wang, et al.
Journal of Chemical Theory and Computation|November 26, 2015
Comparative Study of Single and Double Hybrid Density Functionals for the Prediction of 3d Transition Metal ThermochemistryWanyi Jiang, Marie L Laury, Mitchell Powell, et al.
The Journal of Chemical Physics|December 14, 2011
A pseudopotential-based composite method: the relativistic pseudopotential correlation consistent composite approach for molecules containing 4d transition metals (Y-Cd)Marie L Laury, Nathan J DeYonker, Wanyi Jiang, et al.
Journal of Computer-Aided Molecular Design|October 17, 2018
Absolute binding free energies for the SAMPL6 cucurbit[8]uril host-guest challenge via the AMOEBA polarizable force fieldMarie L Laury, Zhi Wang, Aaron S Gordon, et al.
The Journal of Physical Chemistry. B|February 17, 2015
Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water ModelMarie L Laury, Lee-Ping Wang, Vijay S Pande, et al.
Journal of Computational Chemistry|May 21, 2011
Harmonic vibrational frequencies: scale factors for pure, hybrid, hybrid meta, and double-hybrid functionals in conjunction with correlation consistent basis setsMarie L Laury, Scott E Boesch, Ian Haken, et al.
Pageof 2

Showing results (1-10 of 18) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|December 13, 2012
Examining the heavy p-block with a pseudopotential-based composite method: atomic and molecular applications of rp-ccCAMarie L Laury, Angela K Wilson
Journal of Chemical Theory and Computation|November 24, 2015
Performance of Density Functional Theory for Second Row (4d) Transition Metal ThermochemistryMarie L Laury, Angela K Wilson
The Journal of Physical Chemistry. A|May 23, 2015
Pseudopotential-Based Correlation Consistent Composite Approach (rp-ccCA) for First- and Second-Row Transition Metal ThermochemistrySivabalan Manivasagam, Marie L Laury, Angela K Wilson
Journal of Computational Chemistry|July 21, 2012
Vibrational frequency scale factors for density functional theory and the polarization consistent basis setsMarie L Laury, Matthew J Carlson, Angela K Wilson
Journal of Computer-Aided Molecular Design|November 3, 2020
AMOEBA binding free energies for the SAMPL7 TrimerTrip host-guest challengeYuanjun Shi, Marie L Laury, Zhi Wang, et al.
Journal of Chemical Theory and Computation|November 26, 2015
Comparative Study of Single and Double Hybrid Density Functionals for the Prediction of 3d Transition Metal ThermochemistryWanyi Jiang, Marie L Laury, Mitchell Powell, et al.
The Journal of Chemical Physics|December 14, 2011
A pseudopotential-based composite method: the relativistic pseudopotential correlation consistent composite approach for molecules containing 4d transition metals (Y-Cd)Marie L Laury, Nathan J DeYonker, Wanyi Jiang, et al.
Journal of Computer-Aided Molecular Design|October 17, 2018
Absolute binding free energies for the SAMPL6 cucurbit[8]uril host-guest challenge via the AMOEBA polarizable force fieldMarie L Laury, Zhi Wang, Aaron S Gordon, et al.
The Journal of Physical Chemistry. B|February 17, 2015
Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water ModelMarie L Laury, Lee-Ping Wang, Vijay S Pande, et al.
Journal of Computational Chemistry|May 21, 2011
Harmonic vibrational frequencies: scale factors for pure, hybrid, hybrid meta, and double-hybrid functionals in conjunction with correlation consistent basis setsMarie L Laury, Scott E Boesch, Ian Haken, et al.
Pageof 2