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Physical Chemistry Chemical Physics : PCCP
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October 17, 2018
Density-functional description of alkalides: introducing the alkalide state
Stephen G Dale, Axel D Becke, Erin R Johnson
The Journal of Chemical Physics
|
May 19, 2007
Density functionals and transition-metal atoms
Erin R Johnson, Ross M Dickson, Axel D Becke
The Journal of Chemical Physics
|
October 23, 2017
Interrogating the Becke'05 density functional for non-locality information
Stephen G Dale, Erin R Johnson, Axel D Becke
Chemical Science
|
May 14, 2023
Quantitative matching of crystal structures to experimental powder diffractograms
R Alex Mayo, Katherine M Marczenko, Erin R Johnson
The Journal of Chemical Physics
|
March 3, 2005
Efficient silicon surface and cluster modeling using quantum capping potentials
Gino A DiLabio, Robert A Wolkow, Erin R Johnson
Physical Chemistry Chemical Physics : PCCP
|
May 22, 2026
The effects of dispersion damping and three-body interactions for accurate layered-material exfoliation energies
Adrian F Rumson, Kyle R Bryenton, Erin R Johnson
ACS Central Science
|
July 1, 2024
Porphyrin Aggregation under Homogeneous Conditions Inhibits Electrocatalysis: A Case Study on CO<sub>2</sub> Reduction
Kaitlin L Branch, Erin R Johnson, Eva M Nichols
The Journal of Physical Chemistry. A
|
March 25, 2021
Interplay between London Dispersion, Hubbard <i>U</i>, and Metastable States for Uranium Compounds
Matthew S Christian, Erin R Johnson, Theodore M Besmann
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 19, 2024
Mapping Electrophile Chemoselectivity in DalPhos/Nickel N-Arylation Catalysis: The Unusual Influence of Remote Sterics
Peter L Fox, Jeongin Choi, Erin R Johnson, et al.
The Journal of Physical Chemistry. A
|
December 15, 2010
Singlet-triplet energy gaps for diradicals from fractional-spin density-functional theory
Daniel H Ess, Erin R Johnson, Xiangqian Hu, et al.
Page
of 14
Search research articles
Search
Showing results (51-60 of 135) with videos related to
Sort By:
Page
of 14
Physical Chemistry Chemical Physics : PCCP
|
October 17, 2018
Density-functional description of alkalides: introducing the alkalide state
Stephen G Dale, Axel D Becke, Erin R Johnson
The Journal of Chemical Physics
|
May 19, 2007
Density functionals and transition-metal atoms
Erin R Johnson, Ross M Dickson, Axel D Becke
The Journal of Chemical Physics
|
October 23, 2017
Interrogating the Becke'05 density functional for non-locality information
Stephen G Dale, Erin R Johnson, Axel D Becke
Chemical Science
|
May 14, 2023
Quantitative matching of crystal structures to experimental powder diffractograms
R Alex Mayo, Katherine M Marczenko, Erin R Johnson
The Journal of Chemical Physics
|
March 3, 2005
Efficient silicon surface and cluster modeling using quantum capping potentials
Gino A DiLabio, Robert A Wolkow, Erin R Johnson
Physical Chemistry Chemical Physics : PCCP
|
May 22, 2026
The effects of dispersion damping and three-body interactions for accurate layered-material exfoliation energies
Adrian F Rumson, Kyle R Bryenton, Erin R Johnson
ACS Central Science
|
July 1, 2024
Porphyrin Aggregation under Homogeneous Conditions Inhibits Electrocatalysis: A Case Study on CO<sub>2</sub> Reduction
Kaitlin L Branch, Erin R Johnson, Eva M Nichols
The Journal of Physical Chemistry. A
|
March 25, 2021
Interplay between London Dispersion, Hubbard <i>U</i>, and Metastable States for Uranium Compounds
Matthew S Christian, Erin R Johnson, Theodore M Besmann
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 19, 2024
Mapping Electrophile Chemoselectivity in DalPhos/Nickel N-Arylation Catalysis: The Unusual Influence of Remote Sterics
Peter L Fox, Jeongin Choi, Erin R Johnson, et al.
The Journal of Physical Chemistry. A
|
December 15, 2010
Singlet-triplet energy gaps for diradicals from fractional-spin density-functional theory
Daniel H Ess, Erin R Johnson, Xiangqian Hu, et al.
Page
of 14