Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

Frank C Pickard

Showing results (21-30 of 36) with videos related to

Pageof 4
Sort By:
Nature|June 13, 2008
Capture of hydroxymethylene and its fast disappearance through tunnellingPeter R Schreiner, Hans Peter Reisenauer, Frank C Pickard, et al.
Journal of Computer-Aided Molecular Design|September 29, 2016
Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challengeJuyong Lee, Florentina Tofoleanu, Frank C Pickard, et al.
Journal of Computer-Aided Molecular Design|September 21, 2016
Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and pK <sub>a</sub> correctionsFrank C Pickard, Gerhard König, Florentina Tofoleanu, et al.
Journal of Chemical Theory and Computation|June 30, 2026
Sample-Based Quantum Diagonalization Methods for Modeling the Photochemistry of Diazirine and Diazo CompoundsSaurabh Shivpuje, Tanvi P Gujarati, Richard Van, et al.
Journal of Chemical Theory and Computation|December 22, 2017
Comparison of Additive and Polarizable Models with Explicit Treatment of Long-Range Lennard-Jones Interactions Using Alkane SimulationsAlison N Leonard, Andrew C Simmonett, Frank C Pickard, et al.
Journal of Chemical Theory and Computation|April 20, 2019
Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization EffectsAndreas Krämer, Frank C Pickard, Jing Huang, et al.
Journal of Chemical Theory and Computation|November 28, 2015
Computation of Hydration Free Energies Using the Multiple Environment Single System Quantum Mechanical/Molecular Mechanical MethodGerhard König, Ye Mei, Frank C Pickard, et al.
The Journal of Physical Chemistry. A|February 17, 2006
Ortho effect in the Bergman cyclization: electronic and steric effects in hydrogen abstraction by 1-substituted naphthalene 5,8-diradicalsFrank C Pickard, Rebecca L Shepherd, Amber E Gillis, et al.
Molecular Pharmaceutics|April 18, 2022
Kinetic Modeling of API Oxidation: (2) Imipramine Stress TestingHaoyang Wu, Alon Grinberg Dana, Duminda S Ranasinghe, et al.
Journal of Chemical Theory and Computation|January 13, 2017
An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field ApproachesJing Huang, Ye Mei, Gerhard König, et al.
Pageof 4

Showing results (21-30 of 36) with videos related to

Sort By:
Pageof 4
Nature|June 13, 2008
Capture of hydroxymethylene and its fast disappearance through tunnellingPeter R Schreiner, Hans Peter Reisenauer, Frank C Pickard, et al.
Journal of Computer-Aided Molecular Design|September 29, 2016
Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challengeJuyong Lee, Florentina Tofoleanu, Frank C Pickard, et al.
Journal of Computer-Aided Molecular Design|September 21, 2016
Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and pK <sub>a</sub> correctionsFrank C Pickard, Gerhard König, Florentina Tofoleanu, et al.
Journal of Chemical Theory and Computation|June 30, 2026
Sample-Based Quantum Diagonalization Methods for Modeling the Photochemistry of Diazirine and Diazo CompoundsSaurabh Shivpuje, Tanvi P Gujarati, Richard Van, et al.
Journal of Chemical Theory and Computation|December 22, 2017
Comparison of Additive and Polarizable Models with Explicit Treatment of Long-Range Lennard-Jones Interactions Using Alkane SimulationsAlison N Leonard, Andrew C Simmonett, Frank C Pickard, et al.
Journal of Chemical Theory and Computation|April 20, 2019
Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization EffectsAndreas Krämer, Frank C Pickard, Jing Huang, et al.
Journal of Chemical Theory and Computation|November 28, 2015
Computation of Hydration Free Energies Using the Multiple Environment Single System Quantum Mechanical/Molecular Mechanical MethodGerhard König, Ye Mei, Frank C Pickard, et al.
The Journal of Physical Chemistry. A|February 17, 2006
Ortho effect in the Bergman cyclization: electronic and steric effects in hydrogen abstraction by 1-substituted naphthalene 5,8-diradicalsFrank C Pickard, Rebecca L Shepherd, Amber E Gillis, et al.
Molecular Pharmaceutics|April 18, 2022
Kinetic Modeling of API Oxidation: (2) Imipramine Stress TestingHaoyang Wu, Alon Grinberg Dana, Duminda S Ranasinghe, et al.
Journal of Chemical Theory and Computation|January 13, 2017
An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field ApproachesJing Huang, Ye Mei, Gerhard König, et al.
Pageof 4