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The Journal of Chemical Physics
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April 3, 2015
Communication: Improved pair approximations in local coupled-cluster methods
Max Schwilk, Denis Usvyat, Hans-Joachim Werner
Physical Chemistry Chemical Physics : PCCP
|
November 20, 2018
Assessment of DFT for endohedral complexes' dipole moment: PNO-LCCSD-F12 as a reference method
Justyna Kozłowska, Max Schwilk, Agnieszka Roztoczyńska, et al.
Journal of Chemical Theory and Computation
|
June 30, 2017
Scalable Electron Correlation Methods. 3. Efficient and Accurate Parallel Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD)
Max Schwilk, Qianli Ma, Christoph Köppl, et al.
Journal of Chemical Theory and Computation
|
September 13, 2017
Scalable Electron Correlation Methods. 4. Parallel Explicitly Correlated Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD-F12)
Qianli Ma, Max Schwilk, Christoph Köppl, et al.
Journal of Chemical Theory and Computation
|
November 9, 2018
Correction to Scalable Electron Correlation Methods. 4. Parallel Explicitly Correlated Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD-F12)
Qianli Ma, Max Schwilk, Christoph Köppl, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Scalable electron correlation methods I.: PNO-LMP2 with linear scaling in the molecular size and near-inverse-linear scaling in the number of processors
Hans-Joachim Werner, Gerald Knizia, Christine Krause, et al.
The Journal of Chemical Physics
|
August 6, 2020
N<sub>3</sub> <sup>+</sup>: Full-dimensional ground state potential energy surface, vibrational energy levels, and dynamics
Debasish Koner, Max Schwilk, Sarbani Patra, et al.
Chemical Communications (Cambridge, England)
|
October 6, 2015
Dinuclear planar chiral ferrocenyl gold(I) & gold(II) complexes
Marta Ayerbe Garcia, Wolfgang Frey, Mark R Ringenberg, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 13, 2016
Organometallic Fe-Fe Interactions: Beyond Common Metal-Metal Bonds and Inverse Mixed-Valent Charge Transfer
Mark R Ringenberg, Max Schwilk, Florian Wittkamp, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 5, 2021
The C(<sup>3</sup>P) + O<sub>2</sub>(<sup>3</sup>Σ<sub>g</sub><sup>-</sup>) → CO<sub>2</sub> ↔ CO(<sup>1</sup>Σ<sup>+</sup>) + O(<sup>1</sup>D)/O(<sup>3</sup>P) reaction: thermal and vibrational relaxation rates from 15 K to 20 000 K
Juan Carlos San Vicente Veliz, Debasish Koner, Max Schwilk, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
April 3, 2015
Communication: Improved pair approximations in local coupled-cluster methods
Max Schwilk, Denis Usvyat, Hans-Joachim Werner
Physical Chemistry Chemical Physics : PCCP
|
November 20, 2018
Assessment of DFT for endohedral complexes' dipole moment: PNO-LCCSD-F12 as a reference method
Justyna Kozłowska, Max Schwilk, Agnieszka Roztoczyńska, et al.
Journal of Chemical Theory and Computation
|
June 30, 2017
Scalable Electron Correlation Methods. 3. Efficient and Accurate Parallel Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD)
Max Schwilk, Qianli Ma, Christoph Köppl, et al.
Journal of Chemical Theory and Computation
|
September 13, 2017
Scalable Electron Correlation Methods. 4. Parallel Explicitly Correlated Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD-F12)
Qianli Ma, Max Schwilk, Christoph Köppl, et al.
Journal of Chemical Theory and Computation
|
November 9, 2018
Correction to Scalable Electron Correlation Methods. 4. Parallel Explicitly Correlated Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD-F12)
Qianli Ma, Max Schwilk, Christoph Köppl, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Scalable electron correlation methods I.: PNO-LMP2 with linear scaling in the molecular size and near-inverse-linear scaling in the number of processors
Hans-Joachim Werner, Gerald Knizia, Christine Krause, et al.
The Journal of Chemical Physics
|
August 6, 2020
N<sub>3</sub> <sup>+</sup>: Full-dimensional ground state potential energy surface, vibrational energy levels, and dynamics
Debasish Koner, Max Schwilk, Sarbani Patra, et al.
Chemical Communications (Cambridge, England)
|
October 6, 2015
Dinuclear planar chiral ferrocenyl gold(I) & gold(II) complexes
Marta Ayerbe Garcia, Wolfgang Frey, Mark R Ringenberg, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 13, 2016
Organometallic Fe-Fe Interactions: Beyond Common Metal-Metal Bonds and Inverse Mixed-Valent Charge Transfer
Mark R Ringenberg, Max Schwilk, Florian Wittkamp, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 5, 2021
The C(<sup>3</sup>P) + O<sub>2</sub>(<sup>3</sup>Σ<sub>g</sub><sup>-</sup>) → CO<sub>2</sub> ↔ CO(<sup>1</sup>Σ<sup>+</sup>) + O(<sup>1</sup>D)/O(<sup>3</sup>P) reaction: thermal and vibrational relaxation rates from 15 K to 20 000 K
Juan Carlos San Vicente Veliz, Debasish Koner, Max Schwilk, et al.
Page
of 2