Search research articles
Contact Us
Filters
Showing results (1-10 of 23) with videos related to
Page
of 3
Sort By:
Physical Chemistry Chemical Physics : PCCP
|
March 13, 2019
Electronic and structural features of octa-coordinated yttrium-ammonia complexes: the first neutral solvated electron precursor with eight ligands and three outer electrons
Nuno M S Almeida, Evangelos Miliordos
Physical Chemistry Chemical Physics : PCCP
|
May 17, 2018
Ab initio calculations on the ground and excited electronic states of neutral and charged palladium monoxide, PdO<sup>0,+,</sup>
Nuno M S Almeida, Isuru R Ariyarathna, Evangelos Miliordos
Physical Chemistry Chemical Physics : PCCP
|
July 9, 2020
Ab initio investigation of the ground and excited states of RuO<sup>+,0,-</sup> and their reaction with water
Isuru R Ariyarathna, Nuno M S Almeida, Evangelos Miliordos
The Journal of Physical Chemistry. A
|
July 16, 2019
Stability and Electronic Features of Calcium Hexa-, Hepta-, and Octa-Coordinated Ammonia Complexes: A First-Principles Study
Isuru R Ariyarathna, Nuno M S Almeida, Evangelos Miliordos
ACS Omega
|
June 21, 2021
Binding of Per- and Polyfluoro-alkyl Substances to Peroxisome Proliferator-Activated Receptor Gamma
Nuno M S Almeida, Yiğitcan Eken, Angela K Wilson
The Journal of Physical Chemistry. A
|
October 4, 2019
O-H and C-H Bond Activations of Water and Methane by RuO<sup>2+</sup> and (NH<sub>3</sub>)RuO<sup>2+</sup>: Ground and Excited States
Nuno M S Almeida, Isuru R Ariyarathna, Evangelos Miliordos
Journal of Computational Chemistry
|
September 3, 2017
Investigation of challenging spin systems using Monte Carlo configuration interaction and the density matrix renormalization group
Jeremy P Coe, Nuno M S Almeida, Martin J Paterson
Physical Chemistry Chemical Physics : PCCP
|
March 19, 2019
Transition-metal solvated-electron precursors: diffuse and 3d electrons in V(NH<sub>3</sub>)
Nuno M S Almeida, Filip Pawłowski, Joseph Vincent Ortiz, et al.
The Journal of Chemical Physics
|
July 9, 2021
Multireference calculations on the ground and lowest excited states and dissociation energy of LuF
Nuno M S Almeida, Timothé R L Melin, Angela K Wilson
Journal of Computer-Aided Molecular Design
|
November 5, 2020
SAMPL7: Host-guest binding prediction by molecular dynamics and quantum mechanics
Yiğitcan Eken, Nuno M S Almeida, Cong Wang, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 23) with videos related to
Sort By:
Page
of 3
Physical Chemistry Chemical Physics : PCCP
|
March 13, 2019
Electronic and structural features of octa-coordinated yttrium-ammonia complexes: the first neutral solvated electron precursor with eight ligands and three outer electrons
Nuno M S Almeida, Evangelos Miliordos
Physical Chemistry Chemical Physics : PCCP
|
May 17, 2018
Ab initio calculations on the ground and excited electronic states of neutral and charged palladium monoxide, PdO<sup>0,+,</sup>
Nuno M S Almeida, Isuru R Ariyarathna, Evangelos Miliordos
Physical Chemistry Chemical Physics : PCCP
|
July 9, 2020
Ab initio investigation of the ground and excited states of RuO<sup>+,0,-</sup> and their reaction with water
Isuru R Ariyarathna, Nuno M S Almeida, Evangelos Miliordos
The Journal of Physical Chemistry. A
|
July 16, 2019
Stability and Electronic Features of Calcium Hexa-, Hepta-, and Octa-Coordinated Ammonia Complexes: A First-Principles Study
Isuru R Ariyarathna, Nuno M S Almeida, Evangelos Miliordos
ACS Omega
|
June 21, 2021
Binding of Per- and Polyfluoro-alkyl Substances to Peroxisome Proliferator-Activated Receptor Gamma
Nuno M S Almeida, Yiğitcan Eken, Angela K Wilson
The Journal of Physical Chemistry. A
|
October 4, 2019
O-H and C-H Bond Activations of Water and Methane by RuO<sup>2+</sup> and (NH<sub>3</sub>)RuO<sup>2+</sup>: Ground and Excited States
Nuno M S Almeida, Isuru R Ariyarathna, Evangelos Miliordos
Journal of Computational Chemistry
|
September 3, 2017
Investigation of challenging spin systems using Monte Carlo configuration interaction and the density matrix renormalization group
Jeremy P Coe, Nuno M S Almeida, Martin J Paterson
Physical Chemistry Chemical Physics : PCCP
|
March 19, 2019
Transition-metal solvated-electron precursors: diffuse and 3d electrons in V(NH<sub>3</sub>)
Nuno M S Almeida, Filip Pawłowski, Joseph Vincent Ortiz, et al.
The Journal of Chemical Physics
|
July 9, 2021
Multireference calculations on the ground and lowest excited states and dissociation energy of LuF
Nuno M S Almeida, Timothé R L Melin, Angela K Wilson
Journal of Computer-Aided Molecular Design
|
November 5, 2020
SAMPL7: Host-guest binding prediction by molecular dynamics and quantum mechanics
Yiğitcan Eken, Nuno M S Almeida, Cong Wang, et al.
Page
of 3