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Solid State Nuclear Magnetic Resonance
|
March 13, 2013
13C chemical-shift anisotropy of alkyl-substituted aromatic carbon in anthracene derivatives
Cody L Hoop, Robbie J Iuliucci
The Journal of Physical Chemistry. A
|
March 20, 2023
Do Models beyond Hybrid Density Functionals Increase the Agreement with Experiment for Predicted NMR Chemical Shifts or Electric Field Gradient Tensors in Organic Solids?
Robbie J Iuliucci, Joshua D Hartman, Gregory J O Beran
The Journal of Chemical Physics
|
February 17, 2017
Semi-empirical refinements of crystal structures using <sup>17</sup>O quadrupolar-coupling tensors
Sean T Holmes, Robbie J Iuliucci, Karl T Mueller, et al.
Journal of Chemical Theory and Computation
|
February 20, 2016
Critical Analysis of Cluster Models and Exchange-Correlation Functionals for Calculating Magnetic Shielding in Molecular Solids
Sean T Holmes, Robbie J Iuliucci, Karl T Mueller, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Modeling NMR chemical shift: A survey of density functional theory approaches for calculating tensor properties
Travis H Sefzik, Domenic Turco, Robbie J Iuliucci, et al.
The Journal of Chemical Physics
|
November 3, 2014
Density functional investigation of intermolecular effects on 13C NMR chemical-shielding tensors modeled with molecular clusters
Sean T Holmes, Robbie J Iuliucci, Karl T Mueller, et al.
Magnetic Resonance in Chemistry : MRC
|
February 16, 2006
Modeling the (13)C chemical-shift tensor in organic single crystals by quantum mechanical methods: finite basis set effects
Travis H Sefzik, Jacqueline M Fidler, Robbie J Iuliucci, et al.
Journal of Computational Chemistry
|
April 28, 2016
Analysis of the bond-valence method for calculating (29) Si and (31) P magnetic shielding in covalent network solids
Sean T Holmes, Fahri Alkan, Robbie J Iuliucci, et al.
Journal of Computational Chemistry
|
February 25, 2017
Calculations of solid-state <sup>43</sup> Ca NMR parameters: A comparison of periodic and cluster approaches and an evaluation of DFT functionals
Sean T Holmes, Shi Bai, Robbie J Iuliucci, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 30, 2016
Spin-orbit effects on the (119)Sn magnetic-shielding tensor in solids: a ZORA/DFT investigation
Fahri Alkan, Sean T Holmes, Robbie J Iuliucci, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
Solid State Nuclear Magnetic Resonance
|
March 13, 2013
13C chemical-shift anisotropy of alkyl-substituted aromatic carbon in anthracene derivatives
Cody L Hoop, Robbie J Iuliucci
The Journal of Physical Chemistry. A
|
March 20, 2023
Do Models beyond Hybrid Density Functionals Increase the Agreement with Experiment for Predicted NMR Chemical Shifts or Electric Field Gradient Tensors in Organic Solids?
Robbie J Iuliucci, Joshua D Hartman, Gregory J O Beran
The Journal of Chemical Physics
|
February 17, 2017
Semi-empirical refinements of crystal structures using <sup>17</sup>O quadrupolar-coupling tensors
Sean T Holmes, Robbie J Iuliucci, Karl T Mueller, et al.
Journal of Chemical Theory and Computation
|
February 20, 2016
Critical Analysis of Cluster Models and Exchange-Correlation Functionals for Calculating Magnetic Shielding in Molecular Solids
Sean T Holmes, Robbie J Iuliucci, Karl T Mueller, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Modeling NMR chemical shift: A survey of density functional theory approaches for calculating tensor properties
Travis H Sefzik, Domenic Turco, Robbie J Iuliucci, et al.
The Journal of Chemical Physics
|
November 3, 2014
Density functional investigation of intermolecular effects on 13C NMR chemical-shielding tensors modeled with molecular clusters
Sean T Holmes, Robbie J Iuliucci, Karl T Mueller, et al.
Magnetic Resonance in Chemistry : MRC
|
February 16, 2006
Modeling the (13)C chemical-shift tensor in organic single crystals by quantum mechanical methods: finite basis set effects
Travis H Sefzik, Jacqueline M Fidler, Robbie J Iuliucci, et al.
Journal of Computational Chemistry
|
April 28, 2016
Analysis of the bond-valence method for calculating (29) Si and (31) P magnetic shielding in covalent network solids
Sean T Holmes, Fahri Alkan, Robbie J Iuliucci, et al.
Journal of Computational Chemistry
|
February 25, 2017
Calculations of solid-state <sup>43</sup> Ca NMR parameters: A comparison of periodic and cluster approaches and an evaluation of DFT functionals
Sean T Holmes, Shi Bai, Robbie J Iuliucci, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 30, 2016
Spin-orbit effects on the (119)Sn magnetic-shielding tensor in solids: a ZORA/DFT investigation
Fahri Alkan, Sean T Holmes, Robbie J Iuliucci, et al.
Page
of 2