Search Result "occupied π orbitals."


Localization and Localizability in Quantum Organic Chemistry: Localized Orbitals and Localization Functions

Journal: Current Organic Chemistry
Volume: 15 Issue: 2 Year: 2011 Page: 3555-3565
Author(s): Bernard Silvi, Peter Reinhardt

Research Article

Computational Methods and Molecular Modelling for Some Predicted Tautomers of Pyrimidine Compounds

Journal: Current Chinese Chemistry
Volume: 1 Issue: 0 Year: 2021 Page: 1-20
Author(s): Mamdouh S. Masoud,Marwa Y. Abd El-Kaway

Research Article

Aromaticity. XI. The Use of D Index in the Characterization of Antiaromatic Compounds. The Case of Fullerene

Journal: Letters in Organic Chemistry
Volume: 13 Issue: 5 Year: 2016 Page: 330-337
Author(s): Maurizio D`Auria

Valence-Topological Charge-Transfer Indices, Dipole, Isoelectric Point and Fractal: From Homo/Heterocycles to Proteins

Journal: Current Organic Chemistry
Volume: 19 Issue: 3 Year: 2015 Page: 205-218
Author(s): Francisco Torrens, Gloria Castellano

Substituted Naphthalen-1-yl-Acetic Acid Hydrazides: Synthesis, Antimicrobial Evaluation and QSAR Analysis

Journal: Medicinal Chemistry
Volume: 9 Issue: 2 Year: 2013 Page: 249-274
Author(s): Rakesh Narang,Balasubramanian Narasimhan,Sunil Sharma,Erik De Clercq,Christophe Pannecouque,Jan Balzarini

The Paterno-Buchi Reaction on Furan Derivatives

Journal: Current Organic Chemistry
Volume: 7 Issue: 1 Year: 2003 Page: 1443-1459
Author(s): M. DAuria, L. Emanuele, R. Racioppi, G. Romaniello

Understanding the Diels-Alder Reactivity of Superelectrophilic Nitrobenzofuroxans and Related 10π-Heteroaromatics through DFT-Based Electrophilicity Descriptors

Journal: Letters in Organic Chemistry
Volume: 8 Issue: 2 Year: 2011 Page: 108-118
Author(s): Sami Lakhdar, Guillaume Berionni, Regis Goumont, Francois Terrier

Molecular Graph Theory: From Adjacency Information to Colored Topology by Chemical Reactivity

Journal: Current Organic Chemistry
Volume: 19 Issue: 4 Year: 2015 Page: 359-386
Author(s): Marina A. Tudoran,Mihai V. Putz

Research Article

The Quantum Chemical and QSAR Studies on Acinetobacter Baumannii Oxphos Inhibitors

Journal: Medicinal Chemistry
Volume: 14 Issue: 3 Year: 2018 Page: 253-268
Author(s): Hakan Sezgin Sayiner,Afaf A.S. Abdalrahm,Murat A. Basaran,Vasyl Kovalishyn,Fatma Kandemirli

The Mechanism of Plasmid Curing in Bacteria

Journal: Current Drug Targets
Volume: 7 Issue: 7 Year: 2006 Page: 823-841
Author(s): Gabriella Spengler, Annamaria Molnar, Zsuzsanna Schelz, Leonard Amaral, Derek Sharples, Joseph Molnar

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