Paul Popelier – Research output — Research Explorer The University of Manchester

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2023
REG-MULTI: Lifting the Veil on Electrostatic Interactions
Falcioni, F., Symons, B. C. B. & Popelier, P. L. A., 24 Aug 2023, Advances in Quantum Chemistry. Elsevier BV, Vol. 88. p. 305-328
Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review
2018

On Topological Atoms and Bonds
Popelier, P., 2018, Intermolecular Interactions in Crystals: Fundamentals of Crystal Engineering. Novoa, J. (ed.). Royal Society of Chemistry, p. 147-177 31 p.
Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review
2016
On Quantum Chemical Topology
Popelier, P., 2016, Applications of Topological Methods in Molecular Chemistry. Chauvin, R., Lepetit, C., Silvi, B. & Alikhani, E. (eds.). Switzerland: Springer Nature, p. 23-52 (Challenges and advances in computational chemistry and physics; no. 22).
Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review
2015

Quantum Chemical Topology
Popelier, P., 26 Aug 2015, (Accepted/In press) The Chemical Bond - 100 years old and getting stronger. Springer Nature, p. 71-117 47 p. (Structure and Bonding).
Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review
2014

Characterising Heterocyclic Rings Through Quantum Chemical Topology
Popelier, P. L. A., Griffiths, M. Z., Proft, F. D. (Editor) & Geerlings, P. (Editor), 2014, Topics in Heterocyclic Chemistry 38,: Structure, Bonding and Reactivity of Heterocyclic Compounds. Germany: Springer Nature, Vol. 3. p. 1-31
Research output: Chapter in Book/Report/Conference proceeding › Chapter
The QTAIM Perspective of Chemical Bonding
Popelier, P., Frenking, G. (Editor) & Shaik, S. (Editor), 2014, The Nature of the Chemical Bond Revisited. Germany: John Wiley & Sons Ltd, Vol. 8. p. 271-308
Research output: Chapter in Book/Report/Conference proceeding › Chapter
2012

A generic force field based on Quantum Chemical Topology
Popelier, P. L. A., Gatti, C. (Editor) & Macchi, P. (Editor), 2012, Modern Charge Density Analysis. Germany: Springer Nature, p. 505-526
Research output: Chapter in Book/Report/Conference proceeding › Chapter
Perspectives from Medicinal Chemistry
Popelier, P. L. A., Meanwell, N. A., Gastreich, M., Rarey, M., Devereux, M., Schneider, G., Willett, P. & Brown, N. (Editor), 2012, Bioisosteres in Medicinal Chemistry: Methods and Principles in Medicinal Chemistry. John Wiley & Sons Ltd, Vol. 54. p. 203-216
Research output: Chapter in Book/Report/Conference proceeding › Chapter
Quantum Chemical Topology in Drug Design
Popelier, P. L. A., Banting, L. (Editor) & Clark, T. (Editor), 2012, RSC Drug Discovery Series No. 20: Drug Design Strategies.: Computational Techniques and Applications. Great Britain: Royal Society of Chemistry, Vol. 6. p. 120-163
Research output: Chapter in Book/Report/Conference proceeding › Chapter
2010

Developing Quantum Topological Molecular Similarity (QTMS)
Popelier, P. L. A., 25 Jun 2010, Quantum Biochemistry|Quantum Biochemistry. Weinheim, Germany: John Wiley & Sons Ltd, p. 667-691 24 p.
Research output: Chapter in Book/Report/Conference proceeding › Chapter
2009

Atomis in Molecules and Population Analysis
Popelier, P. L. A., Bultinck, P. & Chattaraj, P. K. (Editor), 2009, Chemical Reactivity Theory. A Density Functional View. Taylor & Francis, p. 215-227
Research output: Chapter in Book/Report/Conference proceeding › Chapter
2007

A Quantitative Structure-Activity Relationship of 1,4-Dihydropyridine Calcium Channel Blockers with Electronic Descriptors produced by Quantum Chemical Topology
Chaudry, U. A., Singh, N. K., Popelier, P. L. & Toro-Labbe, A. (Editor), 2007, Theoretical Aspects of Chemical Reactivity.. Netherlands.: Elsevier BV, Vol. Chapter 15. p. 301-317
Research output: Chapter in Book/Report/Conference proceeding › Chapter
Topological Atom-Atom Partitioning of Molecular Exchange Energy and its Multipolar Convergence
Rafat, M. & Popelier, P. L. A., 12 Apr 2007, The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design|The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Des.. Weinheim, Germany: John Wiley & Sons Ltd, p. 121-140 19 p.
Research output: Chapter in Book/Report/Conference proceeding › Chapter
2005
Quantum chemical topology: On bonds and potentials
Popelier, P. L. A., 19 Jul 2005, Structure and Bonding|Struct. Bond.. Springer Nature, Vol. 115. p. 1-56 55 p.
Research output: Chapter in Book/Report/Conference proceeding › Chapter
2002
Design and quantification of a nanoscale field effect transistor: Distributed response analysis for investigating conductive behaviour
In Het Panhuis, M., Coleman, J. N., Popelier, P. A., Foley, B., Munn, R. W. & Blau, W. J., 2002, Materials Research Society Symposium - Proceedings|Mater Res Soc Symp Proc. Vol. 706. p. 365-370 5 p. (Materials Research Society Symposium Proceedings).
Research output: Chapter in Book/Report/Conference proceeding › Chapter
Quantum topological Atoms
Popelier, P. L. A., Smith, P. J. & Hinchliffe, A. (Editor), 2002, Royal Society of Chemistry Specialist Periodical Report: Chemical Modelling: Applications and Theory. Royal Society of Chemistry, Vol. 8. p. 391-448
Research output: Chapter in Book/Report/Conference proceeding › Chapter
2001

Distributed Response Analysis of the Water Dimer
Popelier, P. L. A., Panhuis, M. I. H., Munn, R. W., Blau, W. J. & Driessen, A. (Editor), 2001, Nonlinear Optics for the Information Society. Dordrecht: Kluwer Academic Publishers, p. 107-110
Research output: Chapter in Book/Report/Conference proceeding › Chapter
2000

Atoms in Molecules
Popelier, P. L. A., Aicken, F. & S.E., O., 2000, Specialist Periodical Report: Chemical Modelling : Applications and Theory. Royal Society of Chemistry, Vol. 3. p. 143-198
Research output: Chapter in Book/Report/Conference proceeding › Chapter
1995

Molecular Similarity and Complementarity based on the Theory of Atoms in Molecules
Popelier, P. L. A. & Dean, P. M. (Editor), 1995, Molecular Similarity in Drug Design. Blackie Academic & Professional, p. 215-240
Research output: Chapter in Book/Report/Conference proceeding › Chapter