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Journal of Chemical Theory and Computation
|
November 21, 2015
Conical Intersection Optimization Based on a Double Newton-Raphson Algorithm Using Composed Steps
Sergi Ruiz-Barragan, Michael A Robb, Lluís Blancafort
Journal of the American Chemical Society
|
May 30, 2002
Quenching of tryptophan (1)(pi,pi*) fluorescence induced by intramolecular hydrogen abstraction via an aborted decarboxylation mechanism
Lluís Blancafort, David González, Massimo Olivucci, et al.
The Journal of Physical Chemistry. A
|
September 3, 2009
Photophysics of the pi,pi* and n,pi* states of thymine: MS-CASPT2 minimum-energy paths and CASSCF on-the-fly dynamics
David Asturiol, Benjamin Lasorne, Michael A Robb, et al.
The Journal of Organic Chemistry
|
May 18, 2007
Toward a mechanistic understanding of the photochromism of dimethyldihydropyrenes
Martial Boggio-Pasqua, Michael J Bearpark, Michael A Robb
The Journal of Physical Chemistry. A
|
July 13, 2006
Photostability via a sloped conical intersection: a CASSCF and RASSCF study of pyracylene
Martial Boggio-Pasqua, Michael A Robb, Michael J Bearpark
The Journal of Physical Chemistry. A
|
November 27, 2024
Real-Time CASSCF (Ehrenfest) Modeling of Electron Dynamics in Organic Semiconductors. Dynamics Reaction Paths Driven by Quantum Coherences. Application to a Radical Organic Semiconductor
Mercè Deumal, Jordi Ribas-Ariño, Cristina Roncero, et al.
Journal of the American Chemical Society
|
February 11, 2005
Triplet-state formation along the ultrafast decay of excited singlet cytosine
Manuela Merchán, Luis Serrano-Andrés, Michael A Robb, et al.
The Journal of Physical Chemistry. A
|
March 29, 2007
Quadratic description of conical intersections: characterization of critical points on the extended seam
Fabrizio Sicilia, Lluís Blancafort, Michael J Bearpark, et al.
Journal of the American Chemical Society
|
May 12, 2005
Intramolecular charge transfer in 4-aminobenzonitriles does not necessarily need the twist
Isabel Gómez, Mar Reguero, Martial Boggio-Pasqua, et al.
The Journal of Physical Chemistry. A
|
July 26, 2008
The photochemistry of formaldehyde: internal conversion and molecular dissociation in a single step?
Marta Araujo, Benjamin Lasorne, Michael J Bearpark, et al.
Page
of 9
Search research articles
Search
Showing results (11-20 of 88) with videos related to
Sort By:
Page
of 9
Journal of Chemical Theory and Computation
|
November 21, 2015
Conical Intersection Optimization Based on a Double Newton-Raphson Algorithm Using Composed Steps
Sergi Ruiz-Barragan, Michael A Robb, Lluís Blancafort
Journal of the American Chemical Society
|
May 30, 2002
Quenching of tryptophan (1)(pi,pi*) fluorescence induced by intramolecular hydrogen abstraction via an aborted decarboxylation mechanism
Lluís Blancafort, David González, Massimo Olivucci, et al.
The Journal of Physical Chemistry. A
|
September 3, 2009
Photophysics of the pi,pi* and n,pi* states of thymine: MS-CASPT2 minimum-energy paths and CASSCF on-the-fly dynamics
David Asturiol, Benjamin Lasorne, Michael A Robb, et al.
The Journal of Organic Chemistry
|
May 18, 2007
Toward a mechanistic understanding of the photochromism of dimethyldihydropyrenes
Martial Boggio-Pasqua, Michael J Bearpark, Michael A Robb
The Journal of Physical Chemistry. A
|
July 13, 2006
Photostability via a sloped conical intersection: a CASSCF and RASSCF study of pyracylene
Martial Boggio-Pasqua, Michael A Robb, Michael J Bearpark
The Journal of Physical Chemistry. A
|
November 27, 2024
Real-Time CASSCF (Ehrenfest) Modeling of Electron Dynamics in Organic Semiconductors. Dynamics Reaction Paths Driven by Quantum Coherences. Application to a Radical Organic Semiconductor
Mercè Deumal, Jordi Ribas-Ariño, Cristina Roncero, et al.
Journal of the American Chemical Society
|
February 11, 2005
Triplet-state formation along the ultrafast decay of excited singlet cytosine
Manuela Merchán, Luis Serrano-Andrés, Michael A Robb, et al.
The Journal of Physical Chemistry. A
|
March 29, 2007
Quadratic description of conical intersections: characterization of critical points on the extended seam
Fabrizio Sicilia, Lluís Blancafort, Michael J Bearpark, et al.
Journal of the American Chemical Society
|
May 12, 2005
Intramolecular charge transfer in 4-aminobenzonitriles does not necessarily need the twist
Isabel Gómez, Mar Reguero, Martial Boggio-Pasqua, et al.
The Journal of Physical Chemistry. A
|
July 26, 2008
The photochemistry of formaldehyde: internal conversion and molecular dissociation in a single step?
Marta Araujo, Benjamin Lasorne, Michael J Bearpark, et al.
Page
of 9