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Journal of Chemical Theory and Computation
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November 26, 2015
Early Experiences with Computational Quantum Chemistry
Russell M Pitzer
The Journal of Physical Chemistry. A
|
November 10, 2006
Theoretical investigation of the binding energies of the iodide ion and xenon atom with decaborane
Ilias Sioutis, Russell M Pitzer
The Journal of Physical Chemistry. A
|
October 18, 2014
Electronic spectrum of the UO and UO(+) molecules
Rajni Tyagi, Zhiyong Zhang, Russell M Pitzer
The Journal of Physical Chemistry. A
|
August 18, 2010
Theoretical investigations of the time-resolved photodissociation dynamics of IBr(-)
Samantha Horvath, Russell M Pitzer, Anne B McCoy
The Journal of Chemical Physics
|
April 7, 2007
Jahn-Teller and related effects in the silver trimer. II: vibrational analysis of the A 2E"-X 2E' electronic transition
Ilias Sioutis, Vadim L Stakhursky, Russell M Pitzer, et al.
The Journal of Chemical Physics
|
April 7, 2007
Jahn-Teller and related effects in the silver trimer. I. The ab initio calculation of spectroscopically observable parameters for the X 2E' and A 2E" electronic states
Ilias Sioutis, Vadim L Stakhursky, Russell M Pitzer, et al.
The Journal of Physical Chemistry. A
|
November 6, 2009
Assessment of the accuracy of shape-consistent relativistic effective core potentials using multireference spin-orbit configuration interaction singles and doubles calculations of the ground and low-lying excited states of U(4+) and U(5+)
Eric V Beck, Scott R Brozell, Jean-Philippe Blaudeau, et al.
The Journal of Physical Chemistry. A
|
April 28, 2006
Oxidation of gas-phase protactinium ions, Pa+ and Pa2+: formation and properties of PaO2(2+)(g), protactinyl
Marta Santos, António Pires de Matos, Joaquim Marçalo, et al.
The Journal of Physical Chemistry. A
|
November 6, 2009
Resonant X-ray enhancement of the Auger effect in high-Z atoms, molecules, and nanoparticles: potential biomedical applications
Anil K Pradhan, Sultana N Nahar, Maximiliano Montenegro, et al.
The Journal of Chemical Physics
|
April 10, 2020
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry
Hans Lischka, Ron Shepard, Thomas Müller, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
November 26, 2015
Early Experiences with Computational Quantum Chemistry
Russell M Pitzer
The Journal of Physical Chemistry. A
|
November 10, 2006
Theoretical investigation of the binding energies of the iodide ion and xenon atom with decaborane
Ilias Sioutis, Russell M Pitzer
The Journal of Physical Chemistry. A
|
October 18, 2014
Electronic spectrum of the UO and UO(+) molecules
Rajni Tyagi, Zhiyong Zhang, Russell M Pitzer
The Journal of Physical Chemistry. A
|
August 18, 2010
Theoretical investigations of the time-resolved photodissociation dynamics of IBr(-)
Samantha Horvath, Russell M Pitzer, Anne B McCoy
The Journal of Chemical Physics
|
April 7, 2007
Jahn-Teller and related effects in the silver trimer. II: vibrational analysis of the A 2E"-X 2E' electronic transition
Ilias Sioutis, Vadim L Stakhursky, Russell M Pitzer, et al.
The Journal of Chemical Physics
|
April 7, 2007
Jahn-Teller and related effects in the silver trimer. I. The ab initio calculation of spectroscopically observable parameters for the X 2E' and A 2E" electronic states
Ilias Sioutis, Vadim L Stakhursky, Russell M Pitzer, et al.
The Journal of Physical Chemistry. A
|
November 6, 2009
Assessment of the accuracy of shape-consistent relativistic effective core potentials using multireference spin-orbit configuration interaction singles and doubles calculations of the ground and low-lying excited states of U(4+) and U(5+)
Eric V Beck, Scott R Brozell, Jean-Philippe Blaudeau, et al.
The Journal of Physical Chemistry. A
|
April 28, 2006
Oxidation of gas-phase protactinium ions, Pa+ and Pa2+: formation and properties of PaO2(2+)(g), protactinyl
Marta Santos, António Pires de Matos, Joaquim Marçalo, et al.
The Journal of Physical Chemistry. A
|
November 6, 2009
Resonant X-ray enhancement of the Auger effect in high-Z atoms, molecules, and nanoparticles: potential biomedical applications
Anil K Pradhan, Sultana N Nahar, Maximiliano Montenegro, et al.
The Journal of Chemical Physics
|
April 10, 2020
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry
Hans Lischka, Ron Shepard, Thomas Müller, et al.
Page
of 2