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Journal of Computational Chemistry
|
April 13, 2026
Aromaticity-Induced Spin State Switching and High-Spin States in Non-Alternant Polyradicals
Sergi Betkhoshvili, Ibério de P R Moreira, Jordi Poater, et al.
ACS Omega
|
January 26, 2026
High-Spin Porphyrin Polyradicals
Sergi Betkhoshvili, Jordi Poater, Ibério de P R Moreira, et al.
The Journal of Physical Chemistry Letters
|
May 8, 2024
Pathway to Polyradicals: A Planar and Fully π-Conjugated Organic Tetraradical(oid)
Sergi Betkhoshvili, Ibério de P R Moreira, Jordi Poater, et al.
The Journal of Organic Chemistry
|
June 20, 2023
Controlling the Diradical Character of Thiele Like Compounds
Josep M Anglada, Jordi Poater, Ibério de P R Moreira, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 22, 2019
Conformational analysis of enantiomerization coupled to internal rotation in triptycyl-n-helicenes
Abel Carreras, Luca Fuligni, Pere Alemany, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2015
Conditional Born-Oppenheimer Dynamics: Quantum Dynamics Simulations for the Model Porphine
Guillermo Albareda, Josep Maria Bofill, Ivano Tavernelli, et al.
Journal of Chemical Theory and Computation
|
January 19, 2022
Controlling Chemical Reactivity with Optimally Oriented Electric Fields: A Generalization of the Newton Trajectory Method
Josep Maria Bofill, Wolfgang Quapp, Guillermo Albareda, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 28, 2010
Experimental cross-sections energy dependence and an ab initio electronic structure survey of the ground singlet potential surface for reactive Li(+) + n-C(3)H(7)Cl collisions at low energies
José María Lucas, Jaime de Andrés, Margarita Albertí, et al.
Chemical Science
|
August 13, 2025
Controlling molecular machines <i>via</i> optimally oriented external electric fields
Marco Severi, Ibério de P R Moreira, Jordi Ribas-Ariño, et al.
The Journal of Chemical Physics
|
September 19, 2023
An algorithm to find the optimal oriented external electrostatic field for annihilating a reaction barrier in a polarizable molecular system
Josep Maria Bofill, Marco Severi, Wolfgang Quapp, et al.
Page
of 5
Search research articles
Search
Showing results (31-40 of 45) with videos related to
Sort By:
Page
of 5
Journal of Computational Chemistry
|
April 13, 2026
Aromaticity-Induced Spin State Switching and High-Spin States in Non-Alternant Polyradicals
Sergi Betkhoshvili, Ibério de P R Moreira, Jordi Poater, et al.
ACS Omega
|
January 26, 2026
High-Spin Porphyrin Polyradicals
Sergi Betkhoshvili, Jordi Poater, Ibério de P R Moreira, et al.
The Journal of Physical Chemistry Letters
|
May 8, 2024
Pathway to Polyradicals: A Planar and Fully π-Conjugated Organic Tetraradical(oid)
Sergi Betkhoshvili, Ibério de P R Moreira, Jordi Poater, et al.
The Journal of Organic Chemistry
|
June 20, 2023
Controlling the Diradical Character of Thiele Like Compounds
Josep M Anglada, Jordi Poater, Ibério de P R Moreira, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 22, 2019
Conformational analysis of enantiomerization coupled to internal rotation in triptycyl-n-helicenes
Abel Carreras, Luca Fuligni, Pere Alemany, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2015
Conditional Born-Oppenheimer Dynamics: Quantum Dynamics Simulations for the Model Porphine
Guillermo Albareda, Josep Maria Bofill, Ivano Tavernelli, et al.
Journal of Chemical Theory and Computation
|
January 19, 2022
Controlling Chemical Reactivity with Optimally Oriented Electric Fields: A Generalization of the Newton Trajectory Method
Josep Maria Bofill, Wolfgang Quapp, Guillermo Albareda, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 28, 2010
Experimental cross-sections energy dependence and an ab initio electronic structure survey of the ground singlet potential surface for reactive Li(+) + n-C(3)H(7)Cl collisions at low energies
José María Lucas, Jaime de Andrés, Margarita Albertí, et al.
Chemical Science
|
August 13, 2025
Controlling molecular machines <i>via</i> optimally oriented external electric fields
Marco Severi, Ibério de P R Moreira, Jordi Ribas-Ariño, et al.
The Journal of Chemical Physics
|
September 19, 2023
An algorithm to find the optimal oriented external electrostatic field for annihilating a reaction barrier in a polarizable molecular system
Josep Maria Bofill, Marco Severi, Wolfgang Quapp, et al.
Page
of 5