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The Journal of Chemical Physics
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July 2, 2024
XMS-CASPT2//XMS-CASPT2 and XMS-CASPT2//CASSCF at comparison: The impact of dynamic correlation in the excited state optimization of nitronaphthalene
Angelo Giussani, Javier Segarra-Martí
Journal of Chemical Theory and Computation
|
December 27, 2025
Investigating the Effects of Electron Correlation and Methylation on the <i>S</i><sub>1</sub>/<i>S</i><sub>0</sub> Conical Intersection Seam of Fulvene
Javier Segarra-Martí, Michael J Bearpark
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 9, 2021
Modelling Photoionisation in Isocytosine: Potential Formation of Longer-Lived Excited State Cations in its Keto Form
Javier Segarra-Martí, Michael J Bearpark
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 5, 2021
Modelling Photoionisation in Isocytosine: Potential Formation of Longer-Lived Excited State Cations in its Keto Form
Javier Segarra-Martí, Michael J Bearpark
Physical Chemistry Chemical Physics : PCCP
|
October 30, 2014
A theoretical study of the intramolecular charge transfer in 4-(dimethylamino)benzethyne
Javier Segarra-Martí, Pedro B Coto
Journal of Chemical Theory and Computation
|
November 18, 2015
Multiconfigurational Second-Order Perturbation Theory with Frozen Natural Orbitals Extended to the Treatment of Photochemical Problems
Javier Segarra-Martí, Marco Garavelli, Francesco Aquilante
Physical Chemistry Chemical Physics : PCCP
|
November 2, 2022
3-Methylation alters excited state decay in photoionised uracil
Javier Segarra-Martí, Thierry Tran, Michael J Bearpark
Physical Chemistry Chemical Physics : PCCP
|
January 31, 2019
Ultrafast and radiationless electronic excited state decay of uracil and thymine cations: computing the effects of dynamic electron correlation
Javier Segarra-Martí, Thierry Tran, Michael J Bearpark
The Journal of Chemical Physics
|
July 5, 2012
Ab initio determination of the ionization potentials of water clusters (H2O)n (n = 2-6)
Javier Segarra-Martí, Manuela Merchán, Daniel Roca-Sanjuán
The Journal of Chemical Physics
|
January 3, 2013
On the photophysics and photochemistry of the water dimer
Javier Segarra-Martí, Daniel Roca-Sanjuán, Manuela Merchán, et al.
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Search research articles
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Showing results (1-10 of 35) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
July 2, 2024
XMS-CASPT2//XMS-CASPT2 and XMS-CASPT2//CASSCF at comparison: The impact of dynamic correlation in the excited state optimization of nitronaphthalene
Angelo Giussani, Javier Segarra-Martí
Journal of Chemical Theory and Computation
|
December 27, 2025
Investigating the Effects of Electron Correlation and Methylation on the <i>S</i><sub>1</sub>/<i>S</i><sub>0</sub> Conical Intersection Seam of Fulvene
Javier Segarra-Martí, Michael J Bearpark
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 9, 2021
Modelling Photoionisation in Isocytosine: Potential Formation of Longer-Lived Excited State Cations in its Keto Form
Javier Segarra-Martí, Michael J Bearpark
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 5, 2021
Modelling Photoionisation in Isocytosine: Potential Formation of Longer-Lived Excited State Cations in its Keto Form
Javier Segarra-Martí, Michael J Bearpark
Physical Chemistry Chemical Physics : PCCP
|
October 30, 2014
A theoretical study of the intramolecular charge transfer in 4-(dimethylamino)benzethyne
Javier Segarra-Martí, Pedro B Coto
Journal of Chemical Theory and Computation
|
November 18, 2015
Multiconfigurational Second-Order Perturbation Theory with Frozen Natural Orbitals Extended to the Treatment of Photochemical Problems
Javier Segarra-Martí, Marco Garavelli, Francesco Aquilante
Physical Chemistry Chemical Physics : PCCP
|
November 2, 2022
3-Methylation alters excited state decay in photoionised uracil
Javier Segarra-Martí, Thierry Tran, Michael J Bearpark
Physical Chemistry Chemical Physics : PCCP
|
January 31, 2019
Ultrafast and radiationless electronic excited state decay of uracil and thymine cations: computing the effects of dynamic electron correlation
Javier Segarra-Martí, Thierry Tran, Michael J Bearpark
The Journal of Chemical Physics
|
July 5, 2012
Ab initio determination of the ionization potentials of water clusters (H2O)n (n = 2-6)
Javier Segarra-Martí, Manuela Merchán, Daniel Roca-Sanjuán
The Journal of Chemical Physics
|
January 3, 2013
On the photophysics and photochemistry of the water dimer
Javier Segarra-Martí, Daniel Roca-Sanjuán, Manuela Merchán, et al.
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of 4