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The Journal of Chemical Physics|March 19, 2008
The Kohn-Sham kinetic energy density as indicator of the electron localization: atomic shell structureAlejandra M Navarrete-López, Jorge Garza, Rubicelia Vargas
The Journal of Physical Chemistry. A|October 9, 2007
Relationship between the critical points found by the electron localization function and atoms in molecules approaches in adducts with hydrogen bondsAlejandra M Navarrete-López, Jorge Garza, Rubicelia Vargas
The Journal of Physical Chemistry. B|December 25, 2012
Electronic charge density analysis of Li-doped polyacetylene: molecular vs periodic descriptions and nature of Li-to-chain bondingMinhhuy Hô, Alejandra M Navarrete-López, Claudio M Zicovich-Wilson, et al.
Physical Chemistry Chemical Physics : PCCP|December 16, 2014
Katoite under pressure: an ab initio investigation of its structural, elastic and vibrational properties sheds light on the phase transitionAlessandro Erba, Alejandra M Navarrete-López, Valentina Lacivita, et al.
The Journal of Chemical Physics|July 24, 2015
Roothaan's approach to solve the Hartree-Fock equations for atoms confined by soft walls: Basis set with correct asymptotic behaviorMariano Rodriguez-Bautista, Cecilia Díaz-García, Alejandra M Navarrete-López, et al.
The Journal of Physical Chemistry. A|June 26, 2010
Hydrolysis of TiCl(4): initial steps in the production of TiO(2)Tsang-Hsiu Wang, Alejandra M Navarrete-López, Shenggang Li, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 5, 2019
Composites of Anthraquinone Dyes@HKUST-1 with Tunable Microstructuring: Experimental and Theoretical Interaction StudiesSandra Loera-Serna, Jorge Flores, Alejandra M Navarrete-López, et al.
Inorganic Chemistry|June 6, 2025
Geometric Isomers of Bipyridinium in Lead Halide PerovskitoidsTakuya Ohmi, Soumya Kundu, Hanyang Ye, et al.
Chempluschem|December 20, 2023
Elucidating Structural Stability, Bandgap, and Photocatalytic Hydrogen Evolution of (H2O/DMF)@HKUST-1 Host-Guest SystemsLuis A Alfonso-Herrera, Jesús S Rodríguez-Girón, Héctor I González de Sampedro, et al.
ACS Applied Materials & Interfaces|December 16, 2024
Physical and Surface Chemical Analysis of High-Quality Antimicrobial Cotton Fabrics Functionalized with CuO Grown In Situ from Different Copper Salts: Experimental and Theoretical ApproachLuz E Román, Carmen Uribe, Francisco Paraguay-Delgado, et al.
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