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The Journal of Physical Chemistry. A
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October 8, 2024
Extending the Perturbative Triples Correction in Coupled-Cluster Theory to Account for Inactive Orbitals
Steven R Gwaltney
BMC Bioinformatics
|
October 11, 2012
Calculations of relative intensities of fragment ions in the MSMS spectra of a doubly charged penta-peptide
Tibor Pechan, Steven R Gwaltney
The Journal of Physical Chemistry. A
|
February 17, 2006
Excitation spectra of dibenzoborole containing pi-electron systems: controlling the electronic spectra by changing the p(pi)-pi* conjugation
Kanchana S Thanthiriwatte, Steven R Gwaltney
Environmental Science & Technology
|
December 17, 2009
Transformation of Triclosan by Fe(III)-saturated montmorillonite
Chamindu Liyanapatirana, Steven R Gwaltney, Kang Xia
Journal of Inorganic and Organometallic Polymers and Materials
|
March 11, 2014
Structures and Stabilities of the Metal Doped Gold Nano-Clusters: M@Au<sub>10</sub> (M = W, Mo, Ru, Co)
Delwar Hossain, Charles U Pittman, Steven R Gwaltney
Journal of Biomolecular Structure & Dynamics
|
October 23, 2024
Computational modeling to understand the interaction of TMPyP4 with a G-quadruplex
Senal D Liyanage, Jerrano L Bowleg, Steven R Gwaltney
The Journal of Chemical Physics
|
March 25, 2006
Second-order correction to perfect pairing: an inexpensive electronic structure method for the treatment of strong electron-electron correlations
Gregory J O Beran, Martin Head-Gordon, Steven R Gwaltney
Journal of the American Chemical Society
|
March 13, 2003
Charge-transfer mechanism for electrophilic aromatic nitration and nitrosation via the convergence of (ab initio) molecular-orbital and Marcus-Hush theories with experiments
Steven R Gwaltney, Sergiy V Rosokha, Martin Head-Gordon, et al.
The Journal of Physical Chemistry. A
|
November 7, 2018
Dispersion-Corrected Modified Embedded-Atom Method Bond Order Interatomic Potential for Sulfur
Doyl Dickel, Steven R Gwaltney, Sungkwang Mun, et al.
The Journal of Organic Chemistry
|
August 25, 2020
New Design Strategy Toward NIR I Xanthene-Based Dyes
Ishanka Rajapaksha, Hao Chang, Yao Xiong, et al.
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of 3
Search research articles
Search
Showing results (1-10 of 22) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. A
|
October 8, 2024
Extending the Perturbative Triples Correction in Coupled-Cluster Theory to Account for Inactive Orbitals
Steven R Gwaltney
BMC Bioinformatics
|
October 11, 2012
Calculations of relative intensities of fragment ions in the MSMS spectra of a doubly charged penta-peptide
Tibor Pechan, Steven R Gwaltney
The Journal of Physical Chemistry. A
|
February 17, 2006
Excitation spectra of dibenzoborole containing pi-electron systems: controlling the electronic spectra by changing the p(pi)-pi* conjugation
Kanchana S Thanthiriwatte, Steven R Gwaltney
Environmental Science & Technology
|
December 17, 2009
Transformation of Triclosan by Fe(III)-saturated montmorillonite
Chamindu Liyanapatirana, Steven R Gwaltney, Kang Xia
Journal of Inorganic and Organometallic Polymers and Materials
|
March 11, 2014
Structures and Stabilities of the Metal Doped Gold Nano-Clusters: M@Au<sub>10</sub> (M = W, Mo, Ru, Co)
Delwar Hossain, Charles U Pittman, Steven R Gwaltney
Journal of Biomolecular Structure & Dynamics
|
October 23, 2024
Computational modeling to understand the interaction of TMPyP4 with a G-quadruplex
Senal D Liyanage, Jerrano L Bowleg, Steven R Gwaltney
The Journal of Chemical Physics
|
March 25, 2006
Second-order correction to perfect pairing: an inexpensive electronic structure method for the treatment of strong electron-electron correlations
Gregory J O Beran, Martin Head-Gordon, Steven R Gwaltney
Journal of the American Chemical Society
|
March 13, 2003
Charge-transfer mechanism for electrophilic aromatic nitration and nitrosation via the convergence of (ab initio) molecular-orbital and Marcus-Hush theories with experiments
Steven R Gwaltney, Sergiy V Rosokha, Martin Head-Gordon, et al.
The Journal of Physical Chemistry. A
|
November 7, 2018
Dispersion-Corrected Modified Embedded-Atom Method Bond Order Interatomic Potential for Sulfur
Doyl Dickel, Steven R Gwaltney, Sungkwang Mun, et al.
The Journal of Organic Chemistry
|
August 25, 2020
New Design Strategy Toward NIR I Xanthene-Based Dyes
Ishanka Rajapaksha, Hao Chang, Yao Xiong, et al.
Page
of 3