Loredana Valenzano

Michigan Technological University — United States

Chemistry · Physical Sciences

22h-index5.2kcitations61works0.02yr avg
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Research Topics

Metal-Organic Frameworks: Synthesis and Applications(17), Crystallography and molecular interactions(12), Advanced Chemical Physics Studies(8), X-ray Diffraction in Crystallography(8), Inorganic Fluorides and Related Compounds(8)

Publications61 total

Energetic competition in the complexation affinity of paracetamol with water and oxalic acid
Molecular Physics·2022· 2 cited
A Quantum Mechanical Description of the Diffusion Properties of C1-C2 Hydrocarbon Molecules in MOF-74-Mg
Digital Commons - Michigan Tech (Michigan Technological University)·2022
A Quantum Mechanical Description of the Diffusion Properties of C1-C2 Hydrocarbon Molecules in MOF-74-Mg
2022Open Access
Energetic Competition in the Complexation Affinity of Paracetamol with Water and Oxalic Acid
2022· 1 citedOpen Access
Detecting Zn(II) Ions in Live Cells with Near-Infrared Fluorescent Probes
Molecules·2019· 29 citedOpen Access
Printing 3D Models for Chemistry: A Step-by-Step Open-Source Guide for Hobbyists, Corporate Professionals, and Educators and Students in K-12 and Higher Education
Digital Commons - Michigan Tech (Michigan Technological University)·2019Open Access
Quantum chemistry as a tool to assess energetic and spectroscopic properties of C1 and C2 hydrocarbons in MOF-74-Mg
Theoretical Chemistry Accounts·2018· 2 cited
A cyanine-based fluorescent cassette with aggregation-induced emission for sensitive detection of pH changes in live cells
Chemical Communications·2018· 81 citedOpen Access
Part II: Quantum mechanical prediction of heats of adsorption for C2-C4 hydrocarbons in MOF-74-Mg/Zn periodic structures
Chemical Physics Letters·2017· 5 cited
Part I: C2C4 hydrocarbons separation addressed via molecular cluster models carved out from periodic MOF-74-Mg/Zn structures
Chemical Physics Letters·2016· 8 cited
Molecules, surfaces, crystals: A quantum chemical quest from fundamentals to applications
Digital Commons - Michigan Tech (Michigan Technological University)·2016Open Access
Unusual Fluorescent Responses of Morpholine-Functionalized Fluorescent Probes to pH via Manipulation of BODIPY’s HOMO and LUMO Energy Orbitals for Intracellular pH Detection
ACS Sensors·2015· 92 cited
Electronic Origin of Doping-Induced Enhancements of Reactivity: Case Study of Tricalcium Silicate
The Journal of Physical Chemistry C·2015· 42 cited
Framework and Channel Modifications in Mayenite (12CaO·7Al<sub>2</sub>O<sub>3</sub>) Nanocages By Cationic Doping
Chemistry of Materials·2015· 47 cited
Volumetric influence on the mechanical behavior of organic solids: The case of aspirin and paracetamol addressed via dispersion corrected DFT
Chemical Physics Letters·2015· 6 cited
A hybrid density functional study on the effects of pressure on paracetamol and aspirin polymorphs
Computational and Theoretical Chemistry·2015· 7 cited
Effects of volumetric expansion in molecular crystals: A quantum mechanical investigation on aspirin and paracetamol most stable polymorphs
Chemical Physics Letters·2015· 6 cited
Influence of (Al, Fe, Mg) Impurities on Triclinic Ca<sub>3</sub>SiO<sub>5</sub>: Interpretations from DFT Calculations
Crystal Growth & Design·2014· 37 cited
Fundamental Aspects of H<sub>2</sub>S Adsorption on CPO-27-Ni
The Journal of Physical Chemistry C·2013· 97 citedOpen Access
Combined study of structural properties on metal-organic frameworks with same topology but different linkers or metal
Journal of Physics Conference Series·2013· 11 citedOpen Access
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Frequent Co-authors

Bartolomeo Civalleri(12), Roberto Dovesi(9), Claudio M. Zicovich‐Wilson(8), Warren F. Perger(8), Silvia Bordiga(7), Sachin Chavan(6), William Slough(6), Carlo Lamberti(5), Haiying Liu(5), K. M. Flurchick(5), Fabien Pascale(4), Roberto Orlando(4), Kapil Adhikari(4), Fen‐Tair Luo(4), Gemechis D. Degaga(4), Karl Petter Lillerud(3), Jenny G. Vitillo(3), M Ferrero(3), Jingtuo Zhang(3), Mingxi Fang(3)