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Journal of the American Chemical Society
|
September 19, 2009
First principles modeling of eosin-loaded ZnO films: a step toward the understanding of dye-sensitized solar cell performances
Frédéric Labat, Ilaria Ciofini, Hrant P Hratchian, et al.
The Journal of Chemical Physics
|
February 10, 2025
Photoelectron-remnant interaction effect on remnant wavefunction in low-kinetic energy electron detachment events
Adam M Kinyua, Hrant P Hratchian, Caroline C Jarrold, et al.
Organic Letters
|
April 12, 2021
Versatile New Reagent for Nitrosation under Mild Conditions
Jordan D Galloway, Cristian Sarabia, James C Fettinger, et al.
The Journal of Chemical Physics
|
January 22, 2008
QM:QM electronic embedding using Mulliken atomic charges: energies and analytic gradients in an ONIOM framework
Hrant P Hratchian, Priya V Parandekar, Krishnan Raghavachari, et al.
Journal of Chemical Theory and Computation
|
August 30, 2016
On the Driving Force of the Excited-State Proton Shuttle in the Green Fluorescent Protein: A Time-Dependent Density Functional Theory (TD-DFT) Study of the Intrinsic Reaction Path
Alessio Petrone, Paola Cimino, Greta Donati, et al.
The Journal of Chemical Physics
|
July 13, 2011
QM:QM embedding using electronic densities within an ONIOM framework: energies and analytic gradients
Hrant P Hratchian, Aliaksandr V Krukau, Priya V Parandekar, et al.
Accounts of Chemical Research
|
November 9, 2019
Exceptionally Complex Electronic Structures of Lanthanide Oxides and Small Molecules
Jarrett L Mason, Hassan Harb, Josey E Topolski, et al.
The Journal of Physical Chemistry. A
|
December 7, 2018
A Tale of Two Stabilities: How One Boron Atom Affects a Switch in Bonding Motifs in CeO<sub>2</sub>B <sub>x</sub><sup>-</sup> ( x = 2, 3) Complexes
Jarrett L Mason, Hassan Harb, Josey E Topolski, et al.
The Journal of Physical Chemistry. A
|
July 31, 2024
Electronic Structures of Small Stoichiometric Zn<i></i>O<i></i> Clusters
Shivangi Vaish, Abigail O Gyamfi, Caleb D Huizenga, et al.
The Journal of Organic Chemistry
|
June 16, 2022
Enhanced Reactivity for Aromatic Bromination via Halogen Bonding with Lactic Acid Derivatives
Sarah I Baker, Mahshid Yaghoubi, Samantha L Bidwell, et al.
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Search research articles
Search
Showing results (31-40 of 58) with videos related to
Sort By:
Page
of 6
Journal of the American Chemical Society
|
September 19, 2009
First principles modeling of eosin-loaded ZnO films: a step toward the understanding of dye-sensitized solar cell performances
Frédéric Labat, Ilaria Ciofini, Hrant P Hratchian, et al.
The Journal of Chemical Physics
|
February 10, 2025
Photoelectron-remnant interaction effect on remnant wavefunction in low-kinetic energy electron detachment events
Adam M Kinyua, Hrant P Hratchian, Caroline C Jarrold, et al.
Organic Letters
|
April 12, 2021
Versatile New Reagent for Nitrosation under Mild Conditions
Jordan D Galloway, Cristian Sarabia, James C Fettinger, et al.
The Journal of Chemical Physics
|
January 22, 2008
QM:QM electronic embedding using Mulliken atomic charges: energies and analytic gradients in an ONIOM framework
Hrant P Hratchian, Priya V Parandekar, Krishnan Raghavachari, et al.
Journal of Chemical Theory and Computation
|
August 30, 2016
On the Driving Force of the Excited-State Proton Shuttle in the Green Fluorescent Protein: A Time-Dependent Density Functional Theory (TD-DFT) Study of the Intrinsic Reaction Path
Alessio Petrone, Paola Cimino, Greta Donati, et al.
The Journal of Chemical Physics
|
July 13, 2011
QM:QM embedding using electronic densities within an ONIOM framework: energies and analytic gradients
Hrant P Hratchian, Aliaksandr V Krukau, Priya V Parandekar, et al.
Accounts of Chemical Research
|
November 9, 2019
Exceptionally Complex Electronic Structures of Lanthanide Oxides and Small Molecules
Jarrett L Mason, Hassan Harb, Josey E Topolski, et al.
The Journal of Physical Chemistry. A
|
December 7, 2018
A Tale of Two Stabilities: How One Boron Atom Affects a Switch in Bonding Motifs in CeO<sub>2</sub>B <sub>x</sub><sup>-</sup> ( x = 2, 3) Complexes
Jarrett L Mason, Hassan Harb, Josey E Topolski, et al.
The Journal of Physical Chemistry. A
|
July 31, 2024
Electronic Structures of Small Stoichiometric Zn<i></i>O<i></i> Clusters
Shivangi Vaish, Abigail O Gyamfi, Caleb D Huizenga, et al.
The Journal of Organic Chemistry
|
June 16, 2022
Enhanced Reactivity for Aromatic Bromination via Halogen Bonding with Lactic Acid Derivatives
Sarah I Baker, Mahshid Yaghoubi, Samantha L Bidwell, et al.
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of 6