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The Journal of Chemical Physics
|
August 13, 2022
N-representability of the target density in Frozen-Density Embedding Theory based methods: Numerical significance and its relation to electronic polarization
Niccolò Ricardi, Cristina E González-Espinoza, Tomasz Adam Wesołowski
Acta Crystallographica. Section A, Foundations and Advances
|
September 2, 2020
Embedding-theory-based simulations using experimental electron densities for the environment
Niccolò Ricardi, Michelle Ernst, Piero Macchi, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 17, 2018
Explicit vs. implicit electronic polarisation of environment of an embedded chromophore in frozen-density embedding theory
Niccolò Ricardi, Alexander Zech, Yann Gimbal-Zofka, et al.
Journal of Chemical Theory and Computation
|
June 16, 2018
Benchmark of Excitation Energy Shifts from Frozen-Density Embedding Theory: Introduction of a Density-Overlap-Based Applicability Threshold
Alexander Zech, Niccolò Ricardi, Stefan Prager, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
April 29, 2019
The deconvolution analysis of ATR-FTIR spectra of diacetylene during UV exposure
Roberto D Ortuso, Niccolò Ricardi, Thomas Bürgi, et al.
Journal of Chemical Theory and Computation
|
July 13, 2023
Embedding Nonrigid Solutes in an Averaged Environment: A Case Study on Rhodopsins
Niccolò Ricardi, Cristina E González-Espinoza, Suliman Adam, et al.
Photochemistry and Photobiology
|
December 28, 2020
Frontiers in Multiscale Modeling of Photoreceptor Proteins
Maria-Andrea Mroginski, Suliman Adam, Gil S Amoyal, et al.
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of 1
Search research articles
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Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
August 13, 2022
N-representability of the target density in Frozen-Density Embedding Theory based methods: Numerical significance and its relation to electronic polarization
Niccolò Ricardi, Cristina E González-Espinoza, Tomasz Adam Wesołowski
Acta Crystallographica. Section A, Foundations and Advances
|
September 2, 2020
Embedding-theory-based simulations using experimental electron densities for the environment
Niccolò Ricardi, Michelle Ernst, Piero Macchi, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 17, 2018
Explicit vs. implicit electronic polarisation of environment of an embedded chromophore in frozen-density embedding theory
Niccolò Ricardi, Alexander Zech, Yann Gimbal-Zofka, et al.
Journal of Chemical Theory and Computation
|
June 16, 2018
Benchmark of Excitation Energy Shifts from Frozen-Density Embedding Theory: Introduction of a Density-Overlap-Based Applicability Threshold
Alexander Zech, Niccolò Ricardi, Stefan Prager, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
April 29, 2019
The deconvolution analysis of ATR-FTIR spectra of diacetylene during UV exposure
Roberto D Ortuso, Niccolò Ricardi, Thomas Bürgi, et al.
Journal of Chemical Theory and Computation
|
July 13, 2023
Embedding Nonrigid Solutes in an Averaged Environment: A Case Study on Rhodopsins
Niccolò Ricardi, Cristina E González-Espinoza, Suliman Adam, et al.
Photochemistry and Photobiology
|
December 28, 2020
Frontiers in Multiscale Modeling of Photoreceptor Proteins
Maria-Andrea Mroginski, Suliman Adam, Gil S Amoyal, et al.
Page
of 1