Paul L. A. Popelier

2009
8	EE	Michael Devereux, Paul L. A. Popelier, Iain M. McLay: Toward an ab initio fragment database for bioisosterism: Dependence of QCT properties on level of theory, conformation, and chemical environment. Journal of Computational Chemistry 30(8): 1300-1318 (2009)
2007
7	EE	Michel Rafat, Paul L. A. Popelier: Atom-atom partitioning of total (super)molecular energy: The hidden terms of classical force fields. Journal of Computational Chemistry 28(1): 292-301 (2007)
6	EE	Michel Rafat, Paul L. A. Popelier: Visualization and integration of quantum topological atoms by spatial discretization into finite elements. Journal of Computational Chemistry 28(16): 2602-2617 (2007)
5	EE	Michel Rafat, Paul L. A. Popelier: Long range behavior of high-rank topological multipole moments. Journal of Computational Chemistry 28(4): 832-838 (2007)
2004
4		Paul J. Smith, Paul L. A. Popelier: Quantitative structure-activity relationships from optimised ab initio bond lengths: steroid binding affinity and antibacterial activity of nitrofuran derivatives. Journal of Computer-Aided Molecular Design 18(2): 135-143 (2004)
2003
3	EE	Nathaniel O. J. Malcolm, Paul L. A. Popelier: An algorithm to delineate and integrate topological basins in a three-dimensional quantum mechanical density function. Journal of Computational Chemistry 24(10): 1276-1282 (2003)
2	EE	Nathaniel O. J. Malcolm, Paul L. A. Popelier: An improved algorithm to locate critical points in a 3D scalar field as implemented in the program MORPHY. Journal of Computational Chemistry 24(4): 437-442 (2003)
2001
1	EE	S. E. O'Brien, Paul L. A. Popelier: Quantum Molecular Similarity. 3. QTMS Descriptors. Journal of Chemical Information and Computer Sciences 41(3): 764-775 (2001)

Coauthor Index

1	Michael Devereux	[8]
2	Nathaniel O. J. Malcolm	[2] [3]
3	Iain M. McLay	[8]
4	S. E. O'Brien	[1]
5	Michel Rafat	[5] [6] [7]
6	Paul J. Smith	[4]

Colors in the list of coauthors