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Chemical Science
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October 4, 2017
Revisiting the polytopal rearrangements in penta-coordinate d<sup>7</sup>-metallocomplexes: modified Berry pseudorotation, octahedral switch, and butterfly isomerization
Rubik Asatryan, Eli Ruckenstein, Johannes Hachmann
Physical Chemistry Chemical Physics : PCCP
|
February 9, 2019
Benchmarking DFT approaches for the calculation of polarizability inputs for refractive index predictions in organic polymers
Mohammad Atif Faiz Afzal, Johannes Hachmann
The Journal of Chemical Physics
|
October 18, 2006
Multireference correlation in long molecules with the quadratic scaling density matrix renormalization group
Johannes Hachmann, Wim Cardoen, Garnet Kin-Lic Chan
The Journal of Chemical Physics
|
July 2, 2018
Combining first-principles and data modeling for the accurate prediction of the refractive index of organic polymers
Mohammad Atif Faiz Afzal, Chong Cheng, Johannes Hachmann
The Journal of Physical Chemistry. A
|
November 29, 2018
Roaming-like Mechanism for Dehydration of Diol Radicals
Rubik Asatryan, Yudhajit Pal, Johannes Hachmann, et al.
The Journal of Chemical Physics
|
May 20, 2009
Analytic response theory for the density matrix renormalization group
Jonathan J Dorando, Johannes Hachmann, Garnet Kin-Lic Chan
The Journal of Chemical Physics
|
September 4, 2007
Targeted excited state algorithms
Jonathan J Dorando, Johannes Hachmann, Garnet Kin-Lic Chan
The Journal of Chemical Physics
|
April 17, 2008
Orbital optimization in the density matrix renormalization group, with applications to polyenes and beta-carotene
Debashree Ghosh, Johannes Hachmann, Takeshi Yanai, et al.
The Journal of Physical Chemistry. A
|
November 5, 2020
<i>The Journal of Physical Chemistry A</i>/<i>B</i>/<i>C</i> Virtual Special Issue on Machine Learning in Physical Chemistry
Andrew L Ferguson, Johannes Hachmann, Thomas F Miller, et al.
The Journal of Physical Chemistry. B
|
November 5, 2020
<i>The Journal of Physical Chemistry A</i>/<i>B</i>/<i>C</i> Virtual Special Issue on Machine Learning in Physical Chemistry
Andrew L Ferguson, Johannes Hachmann, Thomas F Miller, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Chemical Science
|
October 4, 2017
Revisiting the polytopal rearrangements in penta-coordinate d<sup>7</sup>-metallocomplexes: modified Berry pseudorotation, octahedral switch, and butterfly isomerization
Rubik Asatryan, Eli Ruckenstein, Johannes Hachmann
Physical Chemistry Chemical Physics : PCCP
|
February 9, 2019
Benchmarking DFT approaches for the calculation of polarizability inputs for refractive index predictions in organic polymers
Mohammad Atif Faiz Afzal, Johannes Hachmann
The Journal of Chemical Physics
|
October 18, 2006
Multireference correlation in long molecules with the quadratic scaling density matrix renormalization group
Johannes Hachmann, Wim Cardoen, Garnet Kin-Lic Chan
The Journal of Chemical Physics
|
July 2, 2018
Combining first-principles and data modeling for the accurate prediction of the refractive index of organic polymers
Mohammad Atif Faiz Afzal, Chong Cheng, Johannes Hachmann
The Journal of Physical Chemistry. A
|
November 29, 2018
Roaming-like Mechanism for Dehydration of Diol Radicals
Rubik Asatryan, Yudhajit Pal, Johannes Hachmann, et al.
The Journal of Chemical Physics
|
May 20, 2009
Analytic response theory for the density matrix renormalization group
Jonathan J Dorando, Johannes Hachmann, Garnet Kin-Lic Chan
The Journal of Chemical Physics
|
September 4, 2007
Targeted excited state algorithms
Jonathan J Dorando, Johannes Hachmann, Garnet Kin-Lic Chan
The Journal of Chemical Physics
|
April 17, 2008
Orbital optimization in the density matrix renormalization group, with applications to polyenes and beta-carotene
Debashree Ghosh, Johannes Hachmann, Takeshi Yanai, et al.
The Journal of Physical Chemistry. A
|
November 5, 2020
<i>The Journal of Physical Chemistry A</i>/<i>B</i>/<i>C</i> Virtual Special Issue on Machine Learning in Physical Chemistry
Andrew L Ferguson, Johannes Hachmann, Thomas F Miller, et al.
The Journal of Physical Chemistry. B
|
November 5, 2020
<i>The Journal of Physical Chemistry A</i>/<i>B</i>/<i>C</i> Virtual Special Issue on Machine Learning in Physical Chemistry
Andrew L Ferguson, Johannes Hachmann, Thomas F Miller, et al.
Page
of 2