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

Iain D Mackie

Showing results (1-10 of 14) with videos related to

Pageof 2
Sort By:
The Journal of Organic Chemistry|December 11, 2008
Thermal rearrangements of 2-ethynylbiphenyl: a DFT study of competing reaction mechanismsIain D Mackie, Richard P Johnson
Physical Chemistry Chemical Physics : PCCP|December 15, 2010
CO2 adsorption by nitrogen-doped carbon nanotubes predicted by density-functional theory with dispersion-correcting potentialsIain D Mackie, Gino A DiLabio
The Journal of Chemical Physics|October 14, 2011
Approximations to complete basis set-extrapolated, highly correlated non-covalent interaction energiesIain D Mackie, Gino A DiLabio
Organic & Biomolecular Chemistry|March 30, 2011
Ring-opening radical clock reactions: many density functionals have difficulty keeping timeIain D Mackie, Gino A DiLabio
The Journal of Physical Chemistry. A|October 3, 2008
Interactions in large, polyaromatic hydrocarbon dimers: application of density functional theory with dispersion correctionsIain D Mackie, Gino A DiLabio
Physical Chemistry Chemical Physics : PCCP|April 29, 2010
Accurate dispersion interactions from standard density-functional theory methods with small basis setsIain D Mackie, Gino A Dilabio
The Journal of Physical Chemistry. A|March 25, 2008
Thermochemical and kinetic study of the carbocation ring contraction of cyclohexylium to methylcyclopentyliumIain D Mackie, Jagannathan Govindhakannan, Gino A DiLabio
The Journal of Physical Chemistry. A|April 14, 2009
Binding in thiophene and benzothiophene dimers investigated by density functional theory with dispersion-correcting potentialsIain D Mackie, Sean A McClure, Gino A DiLabio
The Journal of Organic Chemistry|November 11, 2008
Reaction of phenols with the 2,2-diphenyl-1-picrylhydrazyl radical. Kinetics and DFT calculations applied to determine ArO-H bond dissociation enthalpies and reaction mechanismMario C Foti, Carmelo Daquino, Iain D Mackie, et al.
Inorganic Chemistry|August 18, 2004
Gas-phase electron diffraction studies on two 11-vertex Dicarbaboranes, closo-2,3-C2B9H11 and nido-2,9-C2B9H13Iain D Mackie, Heather E Robertson, David W H Rankin, et al.
Pageof 2

Showing results (1-10 of 14) with videos related to

Sort By:
Pageof 2
The Journal of Organic Chemistry|December 11, 2008
Thermal rearrangements of 2-ethynylbiphenyl: a DFT study of competing reaction mechanismsIain D Mackie, Richard P Johnson
Physical Chemistry Chemical Physics : PCCP|December 15, 2010
CO2 adsorption by nitrogen-doped carbon nanotubes predicted by density-functional theory with dispersion-correcting potentialsIain D Mackie, Gino A DiLabio
The Journal of Chemical Physics|October 14, 2011
Approximations to complete basis set-extrapolated, highly correlated non-covalent interaction energiesIain D Mackie, Gino A DiLabio
Organic & Biomolecular Chemistry|March 30, 2011
Ring-opening radical clock reactions: many density functionals have difficulty keeping timeIain D Mackie, Gino A DiLabio
The Journal of Physical Chemistry. A|October 3, 2008
Interactions in large, polyaromatic hydrocarbon dimers: application of density functional theory with dispersion correctionsIain D Mackie, Gino A DiLabio
Physical Chemistry Chemical Physics : PCCP|April 29, 2010
Accurate dispersion interactions from standard density-functional theory methods with small basis setsIain D Mackie, Gino A Dilabio
The Journal of Physical Chemistry. A|March 25, 2008
Thermochemical and kinetic study of the carbocation ring contraction of cyclohexylium to methylcyclopentyliumIain D Mackie, Jagannathan Govindhakannan, Gino A DiLabio
The Journal of Physical Chemistry. A|April 14, 2009
Binding in thiophene and benzothiophene dimers investigated by density functional theory with dispersion-correcting potentialsIain D Mackie, Sean A McClure, Gino A DiLabio
The Journal of Organic Chemistry|November 11, 2008
Reaction of phenols with the 2,2-diphenyl-1-picrylhydrazyl radical. Kinetics and DFT calculations applied to determine ArO-H bond dissociation enthalpies and reaction mechanismMario C Foti, Carmelo Daquino, Iain D Mackie, et al.
Inorganic Chemistry|August 18, 2004
Gas-phase electron diffraction studies on two 11-vertex Dicarbaboranes, closo-2,3-C2B9H11 and nido-2,9-C2B9H13Iain D Mackie, Heather E Robertson, David W H Rankin, et al.
Pageof 2