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From Cyclic Nanorings to Single-Walled Carbon Nanotubes: Disclosing the Evolution of their Electronic Structure with the Help of Theoretical Methods

Andrés Pérez-Guardiola, Ricardo Ortiz-Cano, María Eugenia Sandoval-Salinas, Joaquín Fernández-Rossier, David Casanova, Angel Jose Perez Jimenez, Juan-Carlos Sancho-Garcia

Version 1 posted 19 October 2018

768

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Inorganic Chemistry

Working Paper

Tuning Activity and Selectivity During Alkyne Activation by Gold(I)/Platinum(0) Frustrated Lewis Pairs

Nereida Hidalgo, Juan Jose Moreno, Marina Pérez-Jiménez, Celia Maya, Joaquin López-Serrano, Jesus Campos

Version 2 posted 08 May 2020

1,020

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Polymer Science

Working Paper

Flow Chemistry Controls Both Self-Assembly and the Entrapped Oscillatory Cargo in Belousov-Zhabotinsky Driven Polymerization-Induced Self-Assembly

Liman Hou, Marta Dueñas-Diez, Rohit Srivastava, Juan Perez-Mercader

Version 1 posted 02 April 2019

488

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Physical Chemistry

Working Paper

How Chemistry Computes: Language Recognition by Non-Biochemical Chemical Automata

Marta Dueñas-Diez, Juan Perez-Mercader

Version 1 posted 25 March 2019

645

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Materials Science

Working Paper

Structure and Charge Transport Properties of CycloParaPhenylene Monolayers on Graphite

Andrés Pérez-Guardiola, Juan-Carlos Sancho-Garcia, Luca Muccioli, Angel Jose Perez Jimenez

Version 3 posted 26 February 2019

1,219

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Inorganic Chemistry

Working Paper

Ultrastrong, Free-Standing and Large Nanofilms of Pyrenearamid

Amalia Rapakousiou, Alejandro López-moreno, Belén Nieto-Ortega, M. Mar Bernal, Miguel A. Monclús, Santiago Casado, Cristina Navío, Luisa R. González, Juan P. Fernández-Blázquez, Juan J. Vilatela, Emilio Pérez

Version 1 posted 28 May 2019

586

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Physical Chemistry

Working Paper

Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops

Jeff M. Van Raden, Erik Leonhardt, Lev N. Zakharov, Andrés Pérez-Guardiola, Angel Jose Perez Jimenez, Checkers R. Marshall, Carl K. Brozek, Juan-Carlos Sancho-Garcia, Ramesh Jasti

Version 1 posted 06 May 2019

696

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Theoretical and Computational Chemistry

Working Paper

Characterization of Cisplatin/Membrane Interactions by QM/MM Energy Decomposition Analysis

Gustavo Cárdenas, Álvaro Pérez-Barcia, Marcos Mandado, Juan J. Nogueira

Version 3 posted 08 July 2021

564

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Physical Chemistry

Working Paper

Effect of the QM Size, Basis Set and Polarisation on QM/MM Energy Decomposition Analysis

Marcos Mandado, Juan J. Nogueira, Gustavo Cardenas, Álvaro Pérez-Barcia

Version 1 posted 21 September 2022

221

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Theoretical and Computational Chemistry

Review

Molecular Similarity: Theory, Applications, and Perspectives

Kenneth Lopez Perez, Juan Avellaneda Tamayo, Lexin Chen, Edgar Lopez Lopez, K. Euridice Juarez Mercado, Jose Luis Medina Franco, Ramon Miranda-Quintana

Version 1 posted 24 November 2023

1,068

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24 results in Juan Perez in Authors: Juan Perez

From Cyclic Nanorings to Single-Walled Carbon Nanotubes: Disclosing the Evolution of their Electronic Structure with the Help of Theoretical Methods

Tuning Activity and Selectivity During Alkyne Activation by Gold(I)/Platinum(0) Frustrated Lewis Pairs

Flow Chemistry Controls Both Self-Assembly and the Entrapped Oscillatory Cargo in Belousov-Zhabotinsky Driven Polymerization-Induced Self-Assembly

How Chemistry Computes: Language Recognition by Non-Biochemical Chemical Automata

Structure and Charge Transport Properties of CycloParaPhenylene Monolayers on Graphite

Ultrastrong, Free-Standing and Large Nanofilms of Pyrenearamid

Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops

Characterization of Cisplatin/Membrane Interactions by QM/MM Energy Decomposition Analysis

Effect of the QM Size, Basis Set and Polarisation on QM/MM Energy Decomposition Analysis

Molecular Similarity: Theory, Applications, and Perspectives

24 results in Authors: Juan Perez