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Physical Chemistry Chemical Physics : PCCP
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November 23, 2022
Excited state dynamics and conjugation effects of the photoisomerization reactions of dihydroazulene
Andreas Erbs Hillers-Bendtsen, Frederik Ørsted Kjeldal, Nicolai Ree, et al.
The Journal of Organic Chemistry
|
January 18, 2024
Understanding Aromaticity in [5]Helicene-Bridged Cyclophanes: A Comprehensive Study
Mesías Orozco-Ic, Luis Soriano-Agueda, Sílvia Escayola, et al.
Journal of Chemical Theory and Computation
|
March 10, 2018
Overcoming the Failure of Correlation for Out-of-Plane Motions in a Simple Aromatic: Rovibrational Quantum Chemical Analysis of c-C<sub>3</sub>H<sub>2</sub>
Ryan C Fortenberry, Carlie M Novak, Joshua P Layfield, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Performance of PNOF5 Natural Orbital Functional for Radical Formation Reactions: Hydrogen Atom Abstraction and C-C and O-O Homolytic Bond Cleavage in Selected Molecules
Xabier Lopez, Fernando Ruipérez, Mario Piris, et al.
Angewandte Chemie (International Ed. in English)
|
July 12, 2022
Reply to the Correspondence on "How Aromatic Are Molecular Nanorings? The Case of a Six-Porphyrin Nanoring"
Irene Casademont-Reig, Luis Soriano-Agueda, Eloy Ramos-Cordoba, et al.
Angewandte Chemie (International Ed. in English)
|
July 14, 2021
How Aromatic Are Molecular Nanorings? The Case of a Six-Porphyrin Nanoring*
Irene Casademont-Reig, Raúl Guerrero-Avilés, Eloy Ramos-Cordoba, et al.
Journal of Chemical Theory and Computation
|
March 2, 2023
Are Accelerated and Enhanced Wave Function Methods Accurate to Compute Static Linear and Nonlinear Optical Properties?
Carmelo Naim, Pau Besalú-Sala, Robert Zaleśny, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 12, 2018
New electron delocalization tools to describe the aromaticity in porphyrinoids
Irene Casademont-Reig, Tatiana Woller, Julia Contreras-García, et al.
Dalton Transactions (Cambridge, England : 2003)
|
June 20, 2018
Tuning the affinity of catechols and salicylic acids towards Al(iii): characterization of Al-chelator interactions
Gabriele Dalla Torre, Jon I Mujika, Elena Formoso, et al.
Chemistryopen
|
April 13, 2019
The Coulomb Hole of the Ne Atom
Mauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba, Xabier Lopez, et al.
Page
of 10
Search research articles
Search
Showing results (71-80 of 99) with videos related to
Sort By:
Page
of 10
Physical Chemistry Chemical Physics : PCCP
|
November 23, 2022
Excited state dynamics and conjugation effects of the photoisomerization reactions of dihydroazulene
Andreas Erbs Hillers-Bendtsen, Frederik Ørsted Kjeldal, Nicolai Ree, et al.
The Journal of Organic Chemistry
|
January 18, 2024
Understanding Aromaticity in [5]Helicene-Bridged Cyclophanes: A Comprehensive Study
Mesías Orozco-Ic, Luis Soriano-Agueda, Sílvia Escayola, et al.
Journal of Chemical Theory and Computation
|
March 10, 2018
Overcoming the Failure of Correlation for Out-of-Plane Motions in a Simple Aromatic: Rovibrational Quantum Chemical Analysis of c-C<sub>3</sub>H<sub>2</sub>
Ryan C Fortenberry, Carlie M Novak, Joshua P Layfield, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Performance of PNOF5 Natural Orbital Functional for Radical Formation Reactions: Hydrogen Atom Abstraction and C-C and O-O Homolytic Bond Cleavage in Selected Molecules
Xabier Lopez, Fernando Ruipérez, Mario Piris, et al.
Angewandte Chemie (International Ed. in English)
|
July 12, 2022
Reply to the Correspondence on "How Aromatic Are Molecular Nanorings? The Case of a Six-Porphyrin Nanoring"
Irene Casademont-Reig, Luis Soriano-Agueda, Eloy Ramos-Cordoba, et al.
Angewandte Chemie (International Ed. in English)
|
July 14, 2021
How Aromatic Are Molecular Nanorings? The Case of a Six-Porphyrin Nanoring*
Irene Casademont-Reig, Raúl Guerrero-Avilés, Eloy Ramos-Cordoba, et al.
Journal of Chemical Theory and Computation
|
March 2, 2023
Are Accelerated and Enhanced Wave Function Methods Accurate to Compute Static Linear and Nonlinear Optical Properties?
Carmelo Naim, Pau Besalú-Sala, Robert Zaleśny, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 12, 2018
New electron delocalization tools to describe the aromaticity in porphyrinoids
Irene Casademont-Reig, Tatiana Woller, Julia Contreras-García, et al.
Dalton Transactions (Cambridge, England : 2003)
|
June 20, 2018
Tuning the affinity of catechols and salicylic acids towards Al(iii): characterization of Al-chelator interactions
Gabriele Dalla Torre, Jon I Mujika, Elena Formoso, et al.
Chemistryopen
|
April 13, 2019
The Coulomb Hole of the Ne Atom
Mauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba, Xabier Lopez, et al.
Page
of 10