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September 25, 2012
Efficient calculation of ROA tensors with analytical gradients and fragmentation
Andreas J Thorvaldsen, Bin Gao, Kenneth Ruud, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 24, 2009
Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS)
Andreas J Thorvaldsen, Lara Ferrighi, Kenneth Ruud, et al.
The Journal of Physical Chemistry. B
|
March 23, 2011
Explicit versus implicit solvent modeling of Raman optical activity spectra
Kathrin H Hopmann, Kenneth Ruud, Magdalena Pecul, et al.
Magnetic Resonance in Chemistry : MRC
|
April 28, 2012
Structure and NMR spectra of cyclophanes with unsaturated bridges (cyclophenes)
Helena Dodziuk, Taye Beyene Demissie, Kenneth Ruud, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 16, 2023
Can the absolute configuration of cyclic peptides be determined with vibrational circular dichroism?
Karolina Di Remigio Eikås, Monika Krupová, Tone Kristoffersen, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 4, 2015
Benchmarking two-photon absorption cross sections: performance of CC2 and CAM-B3LYP
Maarten T P Beerepoot, Daniel H Friese, Nanna H List, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 19, 2016
Magnetic properties with multiwavelets and DFT: the complete basis set limit achieved
Stig Rune Jensen, Tor Flå, Dan Jonsson, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 8, 2015
Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches
Jan Vícha, Jan Novotný, Michal Straka, et al.
The Journal of Physical Chemistry. A
|
June 25, 2011
The first and second static electronic hyperpolarizabilities of zigzag boron nitride nanotubes. An ab initio approach through the coupled perturbed Kohn-Sham scheme
Roberto Orlando, Radovan Bast, Kenneth Ruud, et al.
Journal of Chemical Theory and Computation
|
June 1, 2018
Benchmarking the Performance of Exchange-Correlation Functionals for Predicting Two-Photon Absorption Strengths
Maarten T P Beerepoot, Md Mehboob Alam, Joanna Bednarska, et al.
Page
of 17
Search research articles
Search
Showing results (121-130 of 161) with videos related to
Sort By:
Page
of 17
Chirality
|
September 25, 2012
Efficient calculation of ROA tensors with analytical gradients and fragmentation
Andreas J Thorvaldsen, Bin Gao, Kenneth Ruud, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 24, 2009
Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS)
Andreas J Thorvaldsen, Lara Ferrighi, Kenneth Ruud, et al.
The Journal of Physical Chemistry. B
|
March 23, 2011
Explicit versus implicit solvent modeling of Raman optical activity spectra
Kathrin H Hopmann, Kenneth Ruud, Magdalena Pecul, et al.
Magnetic Resonance in Chemistry : MRC
|
April 28, 2012
Structure and NMR spectra of cyclophanes with unsaturated bridges (cyclophenes)
Helena Dodziuk, Taye Beyene Demissie, Kenneth Ruud, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 16, 2023
Can the absolute configuration of cyclic peptides be determined with vibrational circular dichroism?
Karolina Di Remigio Eikås, Monika Krupová, Tone Kristoffersen, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 4, 2015
Benchmarking two-photon absorption cross sections: performance of CC2 and CAM-B3LYP
Maarten T P Beerepoot, Daniel H Friese, Nanna H List, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 19, 2016
Magnetic properties with multiwavelets and DFT: the complete basis set limit achieved
Stig Rune Jensen, Tor Flå, Dan Jonsson, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 8, 2015
Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches
Jan Vícha, Jan Novotný, Michal Straka, et al.
The Journal of Physical Chemistry. A
|
June 25, 2011
The first and second static electronic hyperpolarizabilities of zigzag boron nitride nanotubes. An ab initio approach through the coupled perturbed Kohn-Sham scheme
Roberto Orlando, Radovan Bast, Kenneth Ruud, et al.
Journal of Chemical Theory and Computation
|
June 1, 2018
Benchmarking the Performance of Exchange-Correlation Functionals for Predicting Two-Photon Absorption Strengths
Maarten T P Beerepoot, Md Mehboob Alam, Joanna Bednarska, et al.
Page
of 17