Search research articles
Contact Us
Filters
Showing results (51-60 of 77) with videos related to
Page
of 8
Sort By:
Dalton Transactions (Cambridge, England : 2003)
|
February 15, 2018
A 2D rhomboidal system of manganese(ii) [Mn(3-MeC<sub>6</sub>H<sub>4</sub>COO)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sub>n</sub> with spin canting: rationalization of the magnetic exchange
Beltzane Garcia-Cirera, Ramon Costa, Ibério de P R Moreira, et al.
Journal of Computational Chemistry
|
May 9, 2007
Merging multiconfigurational wavefunctions and correlation functionals to predict magnetic coupling constants
Angel J Pérez-Jiménez, José M Pérez-Jordá, Ibério de P R Moreira, 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.
Physical Chemistry Chemical Physics : PCCP
|
July 25, 2024
Correction: The nature of the electronic ground state of M<sub>2</sub>C (M = Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W) MXenes
Néstor García-Romeral, Ángel Morales-García, Francesc Viñes, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
The Triplet-Singlet Gap in the m-Xylylene Radical: A Not So Simple One
Daniel Reta Mañeru, Arun K Pal, Ibério de P R Moreira, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
May 21, 2023
Buckletronics: how compression-induced buckling affects the mechanical and electronic properties of sp<sup>2</sup>-based two-dimensional materials
Miquel Lopez-Suarez, Genis Lleopart, Raul Morales-Salvador, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2012
Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals
Nanthawat Wannarit, Chaveng Pakawatchai, Ilpo Mutikainen, 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.
Journal of Chemical Theory and Computation
|
August 22, 2019
Interplay between the Gentlest Ascent Dynamics Method and Conjugate Directions to Locate Transition States
Josep Maria Bofill, Jordi Ribas-Ariño, Rosendo Valero, et al.
The Journal of Organic Chemistry
|
August 8, 2017
Experimental and Computational Evidence of the Biradical Structure and Reactivity of Titanium(IV) Enolates
Carlos Heras, Alejandro Gómez-Palomino, Pedro Romea, et al.
Page
of 8
Search research articles
Search
Showing results (51-60 of 77) with videos related to
Sort By:
Page
of 8
Dalton Transactions (Cambridge, England : 2003)
|
February 15, 2018
A 2D rhomboidal system of manganese(ii) [Mn(3-MeC<sub>6</sub>H<sub>4</sub>COO)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sub>n</sub> with spin canting: rationalization of the magnetic exchange
Beltzane Garcia-Cirera, Ramon Costa, Ibério de P R Moreira, et al.
Journal of Computational Chemistry
|
May 9, 2007
Merging multiconfigurational wavefunctions and correlation functionals to predict magnetic coupling constants
Angel J Pérez-Jiménez, José M Pérez-Jordá, Ibério de P R Moreira, 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.
Physical Chemistry Chemical Physics : PCCP
|
July 25, 2024
Correction: The nature of the electronic ground state of M<sub>2</sub>C (M = Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W) MXenes
Néstor García-Romeral, Ángel Morales-García, Francesc Viñes, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
The Triplet-Singlet Gap in the m-Xylylene Radical: A Not So Simple One
Daniel Reta Mañeru, Arun K Pal, Ibério de P R Moreira, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
May 21, 2023
Buckletronics: how compression-induced buckling affects the mechanical and electronic properties of sp<sup>2</sup>-based two-dimensional materials
Miquel Lopez-Suarez, Genis Lleopart, Raul Morales-Salvador, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2012
Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals
Nanthawat Wannarit, Chaveng Pakawatchai, Ilpo Mutikainen, 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.
Journal of Chemical Theory and Computation
|
August 22, 2019
Interplay between the Gentlest Ascent Dynamics Method and Conjugate Directions to Locate Transition States
Josep Maria Bofill, Jordi Ribas-Ariño, Rosendo Valero, et al.
The Journal of Organic Chemistry
|
August 8, 2017
Experimental and Computational Evidence of the Biradical Structure and Reactivity of Titanium(IV) Enolates
Carlos Heras, Alejandro Gómez-Palomino, Pedro Romea, et al.
Page
of 8