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Paul Popelier
Paul Popelier
Professor of Chemical Theory and Computation
Verified email at manchester.ac.uk - Homepage
Title
Cited by
Cited by
Year
Characterization of CHO hydrogen bonds on the basis of the charge density
U Koch, PLA Popelier
The Journal of Physical Chemistry 99 (24), 9747-9754, 1995
29981995
Atoms in Molecules. An Introduction
P Popelier
Pearson Education Harlow Great Britain, 2000
2226*2000
Characterization of a dihydrogen bond on the basis of the electron density
PLA Popelier
The Journal of Physical Chemistry A 102 (10), 1873-1878, 1998
12091998
Chemical bonding and molecular geometry: from Lewis to electron densities
RJ Gillespie, RJ Gillespie, PLA Popelier, PLA Popelier
Oxford University Press on Demand, 2001
4742001
Potential energy surfaces fitted by artificial neural networks
CM Handley, PLA Popelier
The Journal of Physical Chemistry A 114 (10), 3371-3383, 2010
3192010
MORPHY, a program for an automated “atoms in molecules” analysis
PLA Popelier
Computer Physics Communications 93 (2-3), 212-240, 1996
2951996
Theoretical definition of a functional group and the molecular orbital paradigm
RFW Bader, PLA Popelier, TA Keith
Angewandte Chemie International Edition in English 33 (6), 620-631, 1994
2941994
The electron pair
RFW Bader, S Johnson, TH Tang, PLA Popelier
The Journal of Physical Chemistry 100 (38), 15398-15415, 1996
2761996
On the full topology of the Laplacian of the electron density
PLA Popelier
Coordination Chemistry Reviews 197 (1), 169-189, 2000
2732000
The existence of an intramolecular C H O hydrogen bond in creatine and carbamoyl sarcosine
PLA Popelier, RFW Bader
Chemical physics letters 189 (6), 542-548, 1992
2361992
A robust algorithm to locate automatically all types of critical points in the charge density and its Laplacian
PLA Popelier
Chemical physics letters 228 (1-3), 160-164, 1994
2101994
Characterization of an agostic bond on the basis of the electron density
PLA Popelier, G Logothetis
Journal of organometallic chemistry 555 (1), 101-111, 1998
2081998
Electron delocalization and aromaticity in linear polyacenes: atoms in molecules multicenter delocalization index
P Bultinck, M Rafat, R Ponec, B Van Gheluwe, R Carbo-Dorca, P Popelier
The Journal of Physical Chemistry A 110 (24), 7642-7648, 2006
2072006
Quantum molecular similarity. 1. BCP space
PLA Popelier
The Journal of Physical Chemistry A 103 (15), 2883-2890, 1999
2071999
Orient: a program for studying interactions between molecules version 3.2
AJ Stone, A Dullweber, MP Hodges, PLA Popelier, DJ Wales
University of Cambridge 2 (000), 1995
2061995
Convergence of the electrostatic interaction based on topological atoms
PLA Popelier, L Joubert, DS Kosov
The Journal of Physical Chemistry A 105 (35), 8254-8261, 2001
1512001
Quantum molecular similarity. Part 2: The relation between properties in BCP space and bond length
SE O'Brien, PLA Popelier
Canadian journal of chemistry 77 (1), 28-36, 1999
1461999
An investigation of the conductivity of peptide nanotube networks prepared by enzyme-triggered self-assembly
H Xu, AK Das, M Horie, MS Shaik, AM Smith, Y Luo, X Lu, R Collins, ...
Nanoscale 2 (6), 960-966, 2010
1432010
Atomic partitioning of molecular electrostatic potentials
DS Kosov, PLA Popelier
The Journal of Physical Chemistry A 104 (31), 7339-7345, 2000
1412000
Atom–atom partitioning of intramolecular and intermolecular Coulomb energy
PLA Popelier, DS Kosov
The Journal of Chemical Physics 114 (15), 6539-6547, 2001
1352001
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