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Journal of Chemical Theory and Computation
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April 29, 2017
Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route
Franco Egidi, David B Williams-Young, Alberto Baiardi, et al.
Science (New York, N.Y.)
|
May 9, 2024
The odd-number cyclo[13]carbon and its dimer, cyclo[26]carbon
Florian Albrecht, Igor Rončević, Yueze Gao, et al.
The Journal of Chemical Physics
|
December 3, 2015
Vibrationally resolved NEXAFS at C and N K-edges of pyridine, 2-fluoropyridine and 2,6-difluoropyridine: A combined experimental and theoretical assessment
Alberto Baiardi, Marco Mendolicchio, Vincenzo Barone, et al.
The Journal of Chemical Physics
|
April 10, 2015
The ionic states of iodobenzene studied by photoionization and ab initio configuration interaction and DFT computations
Michael H Palmer, Trevor Ridley, Søren Vrønning Hoffmann, et al.
The Journal of Chemical Physics
|
August 24, 2017
The ionic states of difluoromethane: A reappraisal of the low energy photoelectron spectrum including ab initio configuration interaction computations
Michael H Palmer, Malgorzata Biczysko, Alberto Baiardi, et al.
The Journal of Chemical Physics
|
March 3, 2017
A combined theoretical and experimental study of the ionic states of iodopentafluorobenzene
Michael H Palmer, Marcello Coreno, Monica de Simone, et al.
The Journal of Chemical Physics
|
April 10, 2015
Interpretation of the vacuum ultraviolet photoabsorption spectrum of iodobenzene by ab initio computations
Michael H Palmer, Trevor Ridley, Søren Vrønning Hoffmann, et al.
The Journal of Chemical Physics
|
November 2, 2015
Interpretation of the photoelectron, ultraviolet, and vacuum ultraviolet photoabsorption spectra of bromobenzene by ab initio configuration interaction and DFT computations
Michael H Palmer, Trevor Ridley, Søren Vrønning Hoffmann, et al.
The Journal of Chemical Physics
|
April 3, 2016
Combined theoretical and experimental study of the valence, Rydberg, and ionic states of chlorobenzene
Michael H Palmer, Trevor Ridley, Søren Vrønning Hoffmann, et al.
The Journal of Chemical Physics
|
June 3, 2016
Combined theoretical and experimental study of the valence, Rydberg and ionic states of fluorobenzene
Michael H Palmer, Trevor Ridley, Søren Vrønning Hoffmann, et al.
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Search research articles
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Showing results (41-50 of 55) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
April 29, 2017
Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route
Franco Egidi, David B Williams-Young, Alberto Baiardi, et al.
Science (New York, N.Y.)
|
May 9, 2024
The odd-number cyclo[13]carbon and its dimer, cyclo[26]carbon
Florian Albrecht, Igor Rončević, Yueze Gao, et al.
The Journal of Chemical Physics
|
December 3, 2015
Vibrationally resolved NEXAFS at C and N K-edges of pyridine, 2-fluoropyridine and 2,6-difluoropyridine: A combined experimental and theoretical assessment
Alberto Baiardi, Marco Mendolicchio, Vincenzo Barone, et al.
The Journal of Chemical Physics
|
April 10, 2015
The ionic states of iodobenzene studied by photoionization and ab initio configuration interaction and DFT computations
Michael H Palmer, Trevor Ridley, Søren Vrønning Hoffmann, et al.
The Journal of Chemical Physics
|
August 24, 2017
The ionic states of difluoromethane: A reappraisal of the low energy photoelectron spectrum including ab initio configuration interaction computations
Michael H Palmer, Malgorzata Biczysko, Alberto Baiardi, et al.
The Journal of Chemical Physics
|
March 3, 2017
A combined theoretical and experimental study of the ionic states of iodopentafluorobenzene
Michael H Palmer, Marcello Coreno, Monica de Simone, et al.
The Journal of Chemical Physics
|
April 10, 2015
Interpretation of the vacuum ultraviolet photoabsorption spectrum of iodobenzene by ab initio computations
Michael H Palmer, Trevor Ridley, Søren Vrønning Hoffmann, et al.
The Journal of Chemical Physics
|
November 2, 2015
Interpretation of the photoelectron, ultraviolet, and vacuum ultraviolet photoabsorption spectra of bromobenzene by ab initio configuration interaction and DFT computations
Michael H Palmer, Trevor Ridley, Søren Vrønning Hoffmann, et al.
The Journal of Chemical Physics
|
April 3, 2016
Combined theoretical and experimental study of the valence, Rydberg, and ionic states of chlorobenzene
Michael H Palmer, Trevor Ridley, Søren Vrønning Hoffmann, et al.
The Journal of Chemical Physics
|
June 3, 2016
Combined theoretical and experimental study of the valence, Rydberg and ionic states of fluorobenzene
Michael H Palmer, Trevor Ridley, Søren Vrønning Hoffmann, et al.
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of 6