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Physical Chemistry Chemical Physics : PCCP
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October 9, 2012
Structure and stability of cyclic peptide based nanotubes: a molecular dynamics study of the influence of amino acid composition
Ramadoss Vijayaraj, Sofie Van Damme, Patrick Bultinck, et al.
Journal of Computational Chemistry
|
August 29, 2012
Extending Hirshfeld-I to bulk and periodic materials
Danny E P Vanpoucke, Patrick Bultinck, Isabel Van Driessche
Physical Chemistry Chemical Physics : PCCP
|
December 10, 2015
Exploring the role of the 3-center-4-electron bond in hypervalent λ(3)-iodanes using the methodology of domain averaged Fermi holes
Halua Pinto de Magalhães, Hans Peter Lüthi, Patrick Bultinck
The Journal of Physical Chemistry. A
|
March 11, 2006
Multicenter bonding in carbocations with tetracoordinate protons
Robert Ponec, Patrick Bultinck, Pradeep Gutta, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 12, 2012
Theoretical studies on the transport mechanism of 5-fluorouracil through cyclic peptide based nanotubes
Ramadoss Vijayaraj, Sofie Van Damme, Patrick Bultinck, et al.
Chemical Science
|
May 8, 2018
Triplet state homoaromaticity: concept, computational validation and experimental relevance
Kjell Jorner, Burkhard O Jahn, Patrick Bultinck, et al.
Journal of Chemical Information and Computer Sciences
|
July 23, 2003
Quantum similarity superposition algorithm (QSSA): a consistent scheme for molecular alignment and molecular similarity based on quantum chemistry
Patrick Bultinck, Tom Kuppens, Xavier Gironés, et al.
Journal of Chemical Theory and Computation
|
May 25, 2022
Analyzing the Behavior of Spin Phases in External Magnetic Fields by Means of Spin-Constrained States
Laurent Lemmens, Xeno De Vriendt, Patrick Bultinck, et al.
Journal of Computational Chemistry
|
December 13, 2012
Reply to 'Comment on "Extending Hirshfeld-I to bulk and periodic materials"'
Danny E P Vanpoucke, Isabel Van Driessche, Patrick Bultinck
The Journal of Physical Chemistry. A
|
May 17, 2013
Aromaticity of closed-shell charged polybenzenoid hydrocarbons
Nicolás Ramos-Berdullas, Slavko Radenković, Patrick Bultinck, et al.
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of 14
Search research articles
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Showing results (31-40 of 134) with videos related to
Sort By:
Page
of 14
Physical Chemistry Chemical Physics : PCCP
|
October 9, 2012
Structure and stability of cyclic peptide based nanotubes: a molecular dynamics study of the influence of amino acid composition
Ramadoss Vijayaraj, Sofie Van Damme, Patrick Bultinck, et al.
Journal of Computational Chemistry
|
August 29, 2012
Extending Hirshfeld-I to bulk and periodic materials
Danny E P Vanpoucke, Patrick Bultinck, Isabel Van Driessche
Physical Chemistry Chemical Physics : PCCP
|
December 10, 2015
Exploring the role of the 3-center-4-electron bond in hypervalent λ(3)-iodanes using the methodology of domain averaged Fermi holes
Halua Pinto de Magalhães, Hans Peter Lüthi, Patrick Bultinck
The Journal of Physical Chemistry. A
|
March 11, 2006
Multicenter bonding in carbocations with tetracoordinate protons
Robert Ponec, Patrick Bultinck, Pradeep Gutta, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 12, 2012
Theoretical studies on the transport mechanism of 5-fluorouracil through cyclic peptide based nanotubes
Ramadoss Vijayaraj, Sofie Van Damme, Patrick Bultinck, et al.
Chemical Science
|
May 8, 2018
Triplet state homoaromaticity: concept, computational validation and experimental relevance
Kjell Jorner, Burkhard O Jahn, Patrick Bultinck, et al.
Journal of Chemical Information and Computer Sciences
|
July 23, 2003
Quantum similarity superposition algorithm (QSSA): a consistent scheme for molecular alignment and molecular similarity based on quantum chemistry
Patrick Bultinck, Tom Kuppens, Xavier Gironés, et al.
Journal of Chemical Theory and Computation
|
May 25, 2022
Analyzing the Behavior of Spin Phases in External Magnetic Fields by Means of Spin-Constrained States
Laurent Lemmens, Xeno De Vriendt, Patrick Bultinck, et al.
Journal of Computational Chemistry
|
December 13, 2012
Reply to 'Comment on "Extending Hirshfeld-I to bulk and periodic materials"'
Danny E P Vanpoucke, Isabel Van Driessche, Patrick Bultinck
The Journal of Physical Chemistry. A
|
May 17, 2013
Aromaticity of closed-shell charged polybenzenoid hydrocarbons
Nicolás Ramos-Berdullas, Slavko Radenković, Patrick Bultinck, et al.
Page
of 14