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Jochen Autschbach

Showing results (41-50 of 357) with videos related to

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Journal of the American Chemical Society|July 17, 2012
Computational study and molecular orbital analysis of NMR shielding, spin-spin coupling, and electric field gradients of azido platinum complexesKiplangat Sutter, Jochen Autschbach
The Journal of Physical Chemistry. A|March 8, 2011
Calculation of optical rotatory dispersion and electronic circular dichroism for tris-bidentate groups 8 and 9 metal complexes, with emphasis on exciton couplingMark Rudolph, Jochen Autschbach
The Journal of Chemical Physics|December 28, 2006
Study of static and dynamic first hyperpolarizabilities using time-dependent density functional quadratic response theory with local contribution and natural bond orbital analysisAijun Ye, Jochen Autschbach
The Journal of Chemical Physics|January 19, 2007
Calculation of static and dynamic linear magnetic response in approximate time-dependent density functional theoryMykhaylo Krykunov, Jochen Autschbach
Journal of Chemical Theory and Computation|November 19, 2015
Electronic Energy Gaps for π-Conjugated Oligomers and Polymers Calculated with Density Functional TheoryHaitao Sun, Jochen Autschbach
Journal of Chemical Theory and Computation|November 20, 2015
Relativistic Density Functional Calculations of Hyperfine Coupling with Variational versus Perturbational Treatment of Spin-Orbit CouplingPrakash Verma, Jochen Autschbach
The Journal of Physical Chemistry. A|November 16, 2011
Performance of conventional and range-separated hybrid density functionals in calculations of electronic circular dichroism spectra of transition metal complexesMark Rudolph, Jochen Autschbach
Inorganic Chemistry|April 11, 2006
Toward an accurate determination of 195Pt chemical shifts by density functional computations: the importance of unspecific solvent effects and the dependence of Pt magnetic shielding constants on structural parametersMariusz Sterzel, Jochen Autschbach
Journal of the American Chemical Society|October 8, 2004
Density functional calculations of the 13C NMR chemical shifts in (9,0) single-walled carbon nanotubesEva Zurek, Jochen Autschbach
Chirality|March 13, 2008
Fast generation of nonresonant and resonant optical rotatory dispersion curves with the help of circular dichroism calculations and Kramers-Kronig transformationsMark Rudolph, Jochen Autschbach
Pageof 36

Showing results (41-50 of 357) with videos related to

Sort By:
Pageof 36
Journal of the American Chemical Society|July 17, 2012
Computational study and molecular orbital analysis of NMR shielding, spin-spin coupling, and electric field gradients of azido platinum complexesKiplangat Sutter, Jochen Autschbach
The Journal of Physical Chemistry. A|March 8, 2011
Calculation of optical rotatory dispersion and electronic circular dichroism for tris-bidentate groups 8 and 9 metal complexes, with emphasis on exciton couplingMark Rudolph, Jochen Autschbach
The Journal of Chemical Physics|December 28, 2006
Study of static and dynamic first hyperpolarizabilities using time-dependent density functional quadratic response theory with local contribution and natural bond orbital analysisAijun Ye, Jochen Autschbach
The Journal of Chemical Physics|January 19, 2007
Calculation of static and dynamic linear magnetic response in approximate time-dependent density functional theoryMykhaylo Krykunov, Jochen Autschbach
Journal of Chemical Theory and Computation|November 19, 2015
Electronic Energy Gaps for π-Conjugated Oligomers and Polymers Calculated with Density Functional TheoryHaitao Sun, Jochen Autschbach
Journal of Chemical Theory and Computation|November 20, 2015
Relativistic Density Functional Calculations of Hyperfine Coupling with Variational versus Perturbational Treatment of Spin-Orbit CouplingPrakash Verma, Jochen Autschbach
The Journal of Physical Chemistry. A|November 16, 2011
Performance of conventional and range-separated hybrid density functionals in calculations of electronic circular dichroism spectra of transition metal complexesMark Rudolph, Jochen Autschbach
Inorganic Chemistry|April 11, 2006
Toward an accurate determination of 195Pt chemical shifts by density functional computations: the importance of unspecific solvent effects and the dependence of Pt magnetic shielding constants on structural parametersMariusz Sterzel, Jochen Autschbach
Journal of the American Chemical Society|October 8, 2004
Density functional calculations of the 13C NMR chemical shifts in (9,0) single-walled carbon nanotubesEva Zurek, Jochen Autschbach
Chirality|March 13, 2008
Fast generation of nonresonant and resonant optical rotatory dispersion curves with the help of circular dichroism calculations and Kramers-Kronig transformationsMark Rudolph, Jochen Autschbach
Pageof 36