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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.
The Journal of Physical Chemistry. B
|
March 8, 2014
Hybrid QM/MM simulations of the obelin bioluminescence and fluorescence reveal an unexpected light emitter
Shufeng Chen, Isabelle Navizet, Roland Lindh, et al.
Journal of Computational Chemistry
|
June 15, 2012
Comment on "Density functional theory study of 1,2-dioxetanone decomposition in condensed phase"
Daniel Roca-Sanjuán, Marcus Lundberg, David A Mazziotti, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 2, 2013
Ab initio and DFT analysis of the low-lying electronic states of metal dihalides: quantum chemical calculations on the neutral BrMCl (M = Cu, Ag, Au)
Michiko Atsumi, Roland Lindh, Leticia González, et al.
ACS Central Science
|
May 29, 2018
Automatic Differentiation in Quantum Chemistry with Applications to Fully Variational Hartree-Fock
Teresa Tamayo-Mendoza, Christoph Kreisbeck, Roland Lindh, et al.
Journal of Computational Chemistry
|
December 17, 2011
The Bergman cyclizations of the enediyne and its N-substituted analogs using multiconfigurational second-order perturbation theory
Hua Dong, Bo-Zhen Chen, Ming-Bao Huang, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 14, 2007
Spin-orbit ab initio investigation of the ultraviolet photolysis of diiodomethane
Ya-Jun Liu, Luca De Vico, Roland Lindh, et al.
The Journal of Chemical Physics
|
June 17, 2008
Linear scaling multireference singles and doubles configuration interaction
Tsz S Chwee, Andrew B Szilva, Roland Lindh, et al.
The Journal of Physical Chemistry. A
|
August 13, 2008
A combined theoretical and experimental study of simple terminal group 6 nitride and phosphide N[triple bond]MX3 and P[triple bond]MX3 molecules
Xuefeng Wang, Lester Andrews, Roland Lindh, et al.
The Journal of Physical Chemistry. A
|
July 20, 2007
Chemiluminescence of 1,2-dioxetane. Reaction mechanism uncovered
Luca De Vico, Ya-Jun Liu, Jesper Wisborg Krogh, et al.
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Search research articles
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Showing results (41-50 of 114) with videos related to
Sort By:
Page
of 12
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.
The Journal of Physical Chemistry. B
|
March 8, 2014
Hybrid QM/MM simulations of the obelin bioluminescence and fluorescence reveal an unexpected light emitter
Shufeng Chen, Isabelle Navizet, Roland Lindh, et al.
Journal of Computational Chemistry
|
June 15, 2012
Comment on "Density functional theory study of 1,2-dioxetanone decomposition in condensed phase"
Daniel Roca-Sanjuán, Marcus Lundberg, David A Mazziotti, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 2, 2013
Ab initio and DFT analysis of the low-lying electronic states of metal dihalides: quantum chemical calculations on the neutral BrMCl (M = Cu, Ag, Au)
Michiko Atsumi, Roland Lindh, Leticia González, et al.
ACS Central Science
|
May 29, 2018
Automatic Differentiation in Quantum Chemistry with Applications to Fully Variational Hartree-Fock
Teresa Tamayo-Mendoza, Christoph Kreisbeck, Roland Lindh, et al.
Journal of Computational Chemistry
|
December 17, 2011
The Bergman cyclizations of the enediyne and its N-substituted analogs using multiconfigurational second-order perturbation theory
Hua Dong, Bo-Zhen Chen, Ming-Bao Huang, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 14, 2007
Spin-orbit ab initio investigation of the ultraviolet photolysis of diiodomethane
Ya-Jun Liu, Luca De Vico, Roland Lindh, et al.
The Journal of Chemical Physics
|
June 17, 2008
Linear scaling multireference singles and doubles configuration interaction
Tsz S Chwee, Andrew B Szilva, Roland Lindh, et al.
The Journal of Physical Chemistry. A
|
August 13, 2008
A combined theoretical and experimental study of simple terminal group 6 nitride and phosphide N[triple bond]MX3 and P[triple bond]MX3 molecules
Xuefeng Wang, Lester Andrews, Roland Lindh, et al.
The Journal of Physical Chemistry. A
|
July 20, 2007
Chemiluminescence of 1,2-dioxetane. Reaction mechanism uncovered
Luca De Vico, Ya-Jun Liu, Jesper Wisborg Krogh, et al.
Page
of 12