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Results 1 - 10 of 438  for Great Falls College MSU

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Computational study and molecular orbital analysis of NMR shielding, spin-spin coupling, and electric field gradients of azido platinum complexes.

Sutter, Kiplangat ; Autschbach, Jochen Sutter, Kiplangat (correspondence author) ; Sutter, Kiplangat (record owner)

Journal of the American Chemical Society, August 15, 2012, Vol.134(32), pp.13374-13385 [Peer Reviewed Journal]

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Orbitals: Some Fiction and Some Facts

Autschbach, Jochen

Journal of Chemical Education, Jul 10, 2012, Vol.89(8), p.1032 [Peer Reviewed Journal]

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Perspective: Relativistic effects

Autschbach, Jochen

The Journal of Chemical Physics, 21 April 2012, Vol.136(15) [Peer Reviewed Journal]

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Corrigendum: Atomic Contributions from Spin‐Orbit Coupling to 29 Si NMR Chemical Shifts in Metallasilatrane Complexes

Autschbach, Jochen ; Sutter, Kiplangat ; Truflandier, Lionel A. ; Brendler, Erica ; Wagler, Jörg

Chemistry – A European Journal, 07 December 2012, Vol.18(50), pp.15903-15903 [Peer Reviewed Journal]

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Probing the solvent shell with 195Pt chemical shifts: density functional theory molecular dynamics study of Pt(II) and Pt(IV) anionic complexes in aqueous solution.

Truflandier, Lionel A ; Autschbach, Jochen Truflandier, Lionel A (correspondence author) ; Truflandier, Lionel A (record owner)

Journal of the American Chemical Society, March 17, 2010, Vol.132(10), pp.3472-3483 [Peer Reviewed Journal]

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Performance of conventional and range-separated hybrid density functionals in calculations of electronic circular dichroism spectra of transition metal complexes.

Rudolph, Mark ; Autschbach, Jochen Rudolph, Mark (correspondence author) ; Rudolph, Mark (record owner)

The journal of physical chemistry. A, December 29, 2011, Vol.115(51), pp.14677-14686 [Peer Reviewed Journal]

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Theoretical investigation of paramagnetic NMR shifts in transition metal acetylacetonato complexes: analysis of signs, magnitudes, and the role of the covalency of ligand-metal bonding.

Pritchard, Ben ; Autschbach, Jochen Pritchard, Ben (correspondence author) ; Pritchard, Ben (record owner)

Inorganic chemistry, August 6, 2012, Vol.51(15), pp.8340-8351 [Peer Reviewed Journal]

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Computational Modeling of the Optical Rotation of Amino Acids: An "in Silico" Experiment for Physical Chemistry

Simpson, Scott ; Autschbach, Jochen ; Zurek, Eva

Journal of Chemical Education, May 2013, Vol.90(5), p.656 [Peer Reviewed Journal]

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Interaction tensors and local dynamics in common structural motifs of nitrogen: a solid-state 14N NMR and DFT study.

O'Dell, Luke A ; Schurko, Robert W ; Harris, Kristopher J ; Autschbach, Jochen ; Ratcliffe, Christopher I O'Dell, Luke A (correspondence author) ; O'Dell, Luke A (record owner)

Journal of the American Chemical Society, January 26, 2011, Vol.133(3), pp.527-546 [Peer Reviewed Journal]

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On the mechanism and selectivity of the combined C-H activation/Cope rearrangement.

Hansen, Jørn H ; Gregg, Timothy M ; Ovalles, Stephanie R ; Lian, Yajing ; Autschbach, Jochen ; Davies, Huw M L Hansen, Jørn H (correspondence author) ; Hansen, Jørn H (record owner)

Journal of the American Chemical Society, April 6, 2011, Vol.133(13), pp.5076-5085 [Peer Reviewed Journal]

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