Paul Popelier
Paul Popelier
Professor of Chemical Theory and Computation
Geverifieerd e-mailadres voor manchester.ac.uk - Homepage
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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
26821995
Atoms in Molecules. An Introduction
P Popelier
Pearson Education Harlow Great Britain, 2000
2048*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
11401998
Chemical bonding and molecular geometry: from Lewis to electron densities
RJ Gillespie, RJ Gillespie, PLA Popelier, PLA Popelier
Oxford University Press on Demand, 2001
4362001
Chemical reactivity theory: a density functional view
PK Chattaraj
CRC press, 2009
3592009
MORPHY, a program for an automated “atoms in molecules” analysis
PLA Popelier
Computer Physics Communications 93 (2-3), 212-240, 1996
2951996
Potential energy surfaces fitted by artificial neural networks
CM Handley, PLA Popelier
The Journal of Physical Chemistry A 114 (10), 3371-3383, 2010
2732010
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
2721994
On the full topology of the Laplacian of the electron density
PLA Popelier
Coordination Chemistry Reviews 197 (1), 169-189, 2000
2712000
The electron pair
RFW Bader, S Johnson, TH Tang, PLA Popelier
The Journal of Physical Chemistry 100 (38), 15398-15415, 1996
2691996
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
2241992
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
2031994
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
2001995
Quantum molecular similarity. 1. BCP space
PLA Popelier
The Journal of Physical Chemistry A 103 (15), 2883-2890, 1999
1981999
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
1971998
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
1882006
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
1492001
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
1411999
Atomic partitioning of molecular electrostatic potentials
DS Kosov, PLA Popelier
The Journal of Physical Chemistry A 104 (31), 7339-7345, 2000
1372000
Integration of atoms in molecules: a critical examination
PLA Popelier
Molecular Physics 87 (5), 1169-1187, 1996
1341996
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Artikelen 1–20