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The Journal of Chemical Physics
|
November 2, 2015
Absolute NMR shielding scales and nuclear spin-rotation constants in (175)LuX and (197)AuX (X = (19)F, (35)Cl, (79)Br and (127)I)
Taye B Demissie, Michał Jaszuński, Stanislav Komorovsky, et al.
ACS Omega
|
August 29, 2019
Rare and Nonexistent Nitrosyls: Periodic Trends and Relativistic Effects in Ruthenium and Osmium Porphyrin-Based {MNO}<sup>7</sup> Complexes
Taye B Demissie, Jeanet Conradie, Hugo Vazquez-Lima, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 29, 2011
Differences in two-photon and one-photon absorption profiles induced by vibronic coupling: the case of dioxaborine heterocyclic dye
Na Lin, Yi Luo, Kenneth Ruud, et al.
The Journal of Physical Chemistry. B
|
April 28, 2010
Computational study of the one- and two-photon absorption and circular dichroism of (L)-tryptophan
Maxime Guillaume, Kenneth Ruud, Antonio Rizzo, et al.
The Journal of Chemical Physics
|
June 25, 2010
Solvatochromic shift of phenol blue in water from a combined Car-Parrinello molecular dynamics hybrid quantum mechanics-molecular mechanics and ZINDO approach
N Arul Murugan, Prakash Chandra Jha, Z Rinkevicius, et al.
Magnetic Resonance in Chemistry : MRC
|
January 27, 2009
Spatial structure and NMR spectra of strained [2.2.2]cyclophanes
Helena Dodziuk, Maciej Ostrowski, Kenneth Ruud, et al.
The Journal of Chemical Physics
|
January 26, 2007
Nuclear magnetic shielding constants of liquid water: insights from hybrid quantum mechanics/molecular mechanics models
Jacob Kongsted, Christian B Nielsen, Kurt V Mikkelsen, et al.
The Journal of Physical Chemistry. A
|
September 18, 2009
Determination of molecular structure of bisphenylene homologues of BINOL-based phosphoramidites by chiroptical methods
Ondrej Julínek, Vladimír Setnicka, Natalia Miklásová, et al.
The Journal of Physical Chemistry. A
|
December 5, 2015
Four-Component Relativistic Density Functional Theory Calculations of EPR g- and Hyperfine-Coupling Tensors Using Hybrid Functionals: Validation on Transition-Metal Complexes with Large Tensor Anisotropies and Higher-Order Spin-Orbit Effects
Sebastian Gohr, Peter Hrobárik, Michal Repiský, et al.
The Journal of Physical Chemistry. B
|
March 22, 2008
Solvent effects on the three-photon absorption of a symmetric charge-transfer molecule
Na Lin, Lara Ferrighi, Xian Zhao, et al.
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of 17
Search research articles
Search
Showing results (101-110 of 161) with videos related to
Sort By:
Page
of 17
The Journal of Chemical Physics
|
November 2, 2015
Absolute NMR shielding scales and nuclear spin-rotation constants in (175)LuX and (197)AuX (X = (19)F, (35)Cl, (79)Br and (127)I)
Taye B Demissie, Michał Jaszuński, Stanislav Komorovsky, et al.
ACS Omega
|
August 29, 2019
Rare and Nonexistent Nitrosyls: Periodic Trends and Relativistic Effects in Ruthenium and Osmium Porphyrin-Based {MNO}<sup>7</sup> Complexes
Taye B Demissie, Jeanet Conradie, Hugo Vazquez-Lima, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 29, 2011
Differences in two-photon and one-photon absorption profiles induced by vibronic coupling: the case of dioxaborine heterocyclic dye
Na Lin, Yi Luo, Kenneth Ruud, et al.
The Journal of Physical Chemistry. B
|
April 28, 2010
Computational study of the one- and two-photon absorption and circular dichroism of (L)-tryptophan
Maxime Guillaume, Kenneth Ruud, Antonio Rizzo, et al.
The Journal of Chemical Physics
|
June 25, 2010
Solvatochromic shift of phenol blue in water from a combined Car-Parrinello molecular dynamics hybrid quantum mechanics-molecular mechanics and ZINDO approach
N Arul Murugan, Prakash Chandra Jha, Z Rinkevicius, et al.
Magnetic Resonance in Chemistry : MRC
|
January 27, 2009
Spatial structure and NMR spectra of strained [2.2.2]cyclophanes
Helena Dodziuk, Maciej Ostrowski, Kenneth Ruud, et al.
The Journal of Chemical Physics
|
January 26, 2007
Nuclear magnetic shielding constants of liquid water: insights from hybrid quantum mechanics/molecular mechanics models
Jacob Kongsted, Christian B Nielsen, Kurt V Mikkelsen, et al.
The Journal of Physical Chemistry. A
|
September 18, 2009
Determination of molecular structure of bisphenylene homologues of BINOL-based phosphoramidites by chiroptical methods
Ondrej Julínek, Vladimír Setnicka, Natalia Miklásová, et al.
The Journal of Physical Chemistry. A
|
December 5, 2015
Four-Component Relativistic Density Functional Theory Calculations of EPR g- and Hyperfine-Coupling Tensors Using Hybrid Functionals: Validation on Transition-Metal Complexes with Large Tensor Anisotropies and Higher-Order Spin-Orbit Effects
Sebastian Gohr, Peter Hrobárik, Michal Repiský, et al.
The Journal of Physical Chemistry. B
|
March 22, 2008
Solvent effects on the three-photon absorption of a symmetric charge-transfer molecule
Na Lin, Lara Ferrighi, Xian Zhao, et al.
Page
of 17