1. Electron Spin Resonance of Gd in the Intermetallic
Compounds YAg and GdAg
G. Weimann, Ph. A. Bopp, B. Elschner, and K. H. J. Buschow
Int.J.Magnetism 5, 1 (1973)
2. Calculations of the Oxygen Isotope Fractionation between
Hydration Water of Cations and Free Water
Ph. A. Bopp, K. Heinzinger, and P. C. Vogel
Z.Naturforsch. 29a, 1608 (1974)
3. A Molecular Dynamics Study of Aqueous Solutions
VI. Remarks on the Hydration Numbers of Alkali and Halide
Ions
Ph. A. Bopp, K. Heinzinger, and G. Jancsó
Z.Naturforsch. 32a, 620 (1977)
4. Oxygen Isotope Fractionation and the Structure of Aqueous
Alkali Halide Solutions
Ph. A. Bopp, K. Heinzinger, and A. Klemm
Z.Naturforsch. 32a, 1419 (1977)
5. Ionic Hydration in Alkali Halide Solutions
G. Jancsó, Ph. A. Bopp, and K. Heinzinger
Physics Report No. KFKI-1977-101, Budapest 1977
(ISBN 963 371 350 1)
6. Dissection of 12C/13C Isotope Effects on the
Cyanoacetylene Partition Function
Ph. A. Bopp, K. Heinzinger, and M. Wolfsberg
Z.Naturforsch. 33a, 1562 (1978)
7. Theoretical Evaluation of the Distribution of C in
Cyanoacetylene at Thermodynamic Equilibrium
M. Wolfsberg, Ph. A. Bopp, K. Heinzinger, and P. D. Mallinson
Astron.Astophys. 74, 369 (1979)
8. A Molecular Dynamics Study of Aqueous Solutions
X. First Results for a NaCl Solution with a Central Force
Model for Water
Ph. A. Bopp, W. Dietz, and K. Heinzinger
Z.Naturforsch. 34a, 1424 (1979)
9. A Molecular Dynamics Study of an Aqueous NaCl Solution
W. Dietz, Ph. A. Bopp, and K. Heinzinger
Inorg.Chim. Acta X, 173 (1980)
10. Convergence of a Perturbation Technique for Evaluating
Isotopic Partition Function Ratios
C. E. Harvie, Ph. A. Bopp, and M. Wolfsberg
J.Chem.Phys. 72, 6349 (1980)
11. Comments on a Model for Isotope Effects on Henry's Law
Constants in Aqueous Solutions
Ph. A. Bopp and M. Wolfsberg
J.Sol.Chem. 10, 357 (1981)
12. Influence on Isotope Effect Calculations of the Method
of Obtaining Force Constants from Vibrational Data
D. Z. Goodson, S. K. Sarpal, Ph. A. Bopp, and M. Wolfsberg
J.Phys.Chem. 86, 659 (1982)
13. Variational Calculations of the Lower Lying Vibrational
Energy Levels of the Ammonia Molecule
Ph. A. Bopp, D. R. McLaughlin, and M. Wolfsberg
Z.Naturforsch. 37a, 398 (1982)
14. The Calculation of Vibrational Frequencies of Atoms Adsorbed
on Metal Surfaces : H, O and S on Ni(100) and Ni(111) as
Examples
J. E. Black, Ph. A. Bopp, K. Lützenkirchen, and M. Wolfsberg
J.Chem.Phys. 76, 6431 (1982)
15. Evaluation of the Equilibrium Constant for H2O+D2O=2HDO
by Direct Summation over Rotational-Vibrational States
C. L. Chen, Ph. A. Bopp, and M. Wolfsberg
J.Chem.Phys. 77, 579 (1982)
16. The Dependence of the Internal Vibrational Frequencies of
Liquid Water on Central Force Potentials
G. Jancsó and Ph. A. Bopp
Z.Naturforsch. 38a, 206 (1983)
17. An Improved Potential for Non-Rigid Water Molecules in the
Liquid Phase
Ph. A. Bopp, G. Jancsó, and K. Heinzinger
Chem.Phys.Lettres 98, 129 (1983)
18. The Vibrational Spectrum of H2O on Si(100)
J. E. Black, Ph. A. Bopp, and M. Wolfsberg
Surface Science 134, 257 (1983)
19. Molecular Dynamics Study of High Density Liquid Water Using
a Modified Central Force Potential
Ph. A. Bopp, G. Jancsó, and K. Heinzinger
Chem.Phys. 85, 377 (1984)
20. The Effect of Pressure on the Hydrogen Bond Structure of
Liquid Water
G. Pálinkás, Ph. A. Bopp, G. Jancsó, and K. Heinzinger
Z.Naturforsch. 39a, 179 (1984)
21. The Effect of Ca++ and Cl- on the Intramolecular
Vibrational Frequencies of Water
M. M. Probst, Ph. A. Bopp, K. Heinzinger, and B. M. Rode
Chem.Phys. Lettres 106, 317 (1984)
22. The Vibration of Atoms at High Miller Index Surfaces:
Face Centred Cubic Metals
J. E. Black and Ph. A. Bopp
Surface Science 140, 275 (1984)
23. An Improved Variational Calculation of the Lower Vibrational
Energy Levels of the Ammonia Molecule
B. Maessen, Ph. A. Bopp, D. R. McLaughlin, and M. Wolfsberg
Z.Naturforsch. 39a, 1005 (1984)
24. A Molecular Dynamics Study of the Structure of an
LiCl.4H2O Solution
Ph. A. Bopp, I. Okada, H. Ohtaki, and K. Heinzinger
Z.Naturforsch, 40a, 116 (1985)
25. Molecular Dynamics and X-Ray Investigation of an
Aqueous CaCl Solution
M. M. Probst, T. Radnai, K. Heinzinger, Ph. A. Bopp, and B. M. Rode
J.Phys.Chem, 89, 753 (1985)
26. Molecular Dynamics Simulations in Systems of Rare Gases
using Axilrod-Teller and Exchange Three-Atom Interactions
E. E. Polymeropoulos, Ph. A. Bopp, J. Brickmann, L. Jansen, and
R. Block
Phys.Rev.A, 31, 3565 (1985)
27. Molecular Dynamics Study of the Effect of Pressure on an
Aqueous NaCl Solution
G. Jancsó, K. Heinzinger, and Ph. A. Bopp
Z.Naturforsch 40a, 1235 (1985)
28. Molecular Dynamics Simulations of Ionic Hydration
K. Heinzinger, Ph. A. Bopp, and G. Jancsó
Acta Chimica Hungarica, 121,27 (1986)
29. A Study of the Vibrational Motions of Water in an Aqueous
CaCl Solution
Ph. A. Bopp
Chem.Phys., 106,205 (1986)
30. Molecular Dynamics Simulations of Aqueous Ionic Solutions,
Ph. A. Bopp
in 'Physics and Chemistry of Aqueous Ionic Solutions',
edited by M.C.Bellissent-Funel and G.Neilson,
ISBN 90-277-2534-9, Reidel 1987, p. 217-245
31. The Orientation of Small Rafts of Xenon Atoms Physisorbed on
Pt(111), a Molecular Dynamics Study
J. E. Black and Ph. A. Bopp
Phys.Rev.B 34,7410 (1986)
32. A Molecular Dynamics Study of the Behaviour of Xenon
Physisorbed on Pt(111): Coverages less than one Monolayer
J. E. Black and Ph. A. Bopp
Surface Science 182,98 (1987)
33. Nyomás Hatása Cseppfolyós Viz Szerkezetére
G. Jancsó, Ph. A. Bopp, G. Pálinkás, and K. Heinzinger
Kémiai Közlemények 66,336 (1986)
34. Lokale Wechselwirkungspotentiale zur Simulation von
Wasser und wässrigen Lösungen
Ph. A. Bopp
in Procedings of the Workshop "Software Entwicklung in der Chemie"
Hochfilzen November 19-21 1986, edited by J.Gasteiger,
Springer Verlag,1987
35. Molecular Dynamics (MD) Computer Simulations of Solvation
in Hydrogen-Bonded Solvents
Ph. A. Bopp
Pure & Appl. Chemistry, 59,1071 (1987)
36. The Determination of Vibrational Frequencies in
H-bonded Liquids from Molecular Dynamics Simulations
Ph. A. Bopp
in "Interactions of Water in Ionic and Nonionic Hydrates",
edited by H.Kleeberg, Springer Verlag, 1987
37. Die Anwendung von Vektorrechnern
und anderer sehr leistungsfähiger Rechnersysteme
Ph. A. Bopp
in "Molecular Modelling - Biotechnologie"
Procedings of the workshop "Rechnergestütztes Modellieren
von Molekülen", edited by Bundesministerium für Forschung
und Technologie, ISBN 3-9801314-2-4, Bonn 1988
38. A Molecular Dynamics Study of an Aqueous SrCl2 Solution
E. Spohr, G. Pálinkás, K. Heinzinger, Ph. A. Bopp, and M. M. Probst
J.Phys.Chem. 92,6754 (1988)
39. Structure and Dynamics of Water on Membrane Surfaces
and in Narrow Transmembrane Channels
-Molecular Dynamics Simulations-
M. Schlenkrich, Ph. A. Bopp, A. Skerra, and J. Brickmann
in: Transport through Membranes: Carriers, Channels and
Pumps, edited by A.Pullman, J.Jortner and B.Pullman,
Kluwer Academic Publishers 1988 (ISBN 90-277-2831-3)
40. Estimation of the OH-Vibrational Frequency Shifts from
MD Simulations of Aqueous Electrolyte Solutions
G. Heinje, W. A. P. Luck, and Ph. A. Bopp
Chem.Phys.Letters 152,358 (1988)
41. Molecular Dynamics Simulations on the Role of Water
for the Ion Transport Through Narrow Transmembrane Channels
M. Schlenkrich, Ph. A. Bopp, M. Knoblauch, A. Skerra, and J. Brickmann
in: proceedings of the International Symposium on Advances
in Biotechnology of Membrane Ion Transport, edited by
P.L.Jorgensen and R.Verna, Sereno Symposia Publications,
Raven Press, New York 1988 (ISBN 0-88167-423-0)
42. Evaluation of Isotope Effects on Henry's Law Constants
by a Molecular Dynamics Technique
L. X. Dang, Ph. A. Bopp, and M. Wolfsberg
Z.Naturforsch. 44a,485 (1989)
43. Molecular Dynamics Studies of Lanthanum Chloride Solutions
W. Meier, Ph. A. Bopp, M. M. Probst, E. Spohr, and J-l Lin
J.Phys.Chem. 94,4672 (1990)
44. A Molecular Dynamics Study of the Interface Membrane-Water
M. Schlenkrich, K. Nicklas, J. Brickmann, and Ph. A. Bopp
Ber.Bunsenges.Phys.Chem. 94, 133 (1990)
45. Structure and Dynamics of Water and Ionic Solutions near
Biomembrane Surfaces from Molecular Dynamics Simulations
M. Schlenkrich, K. Nicklas, J. Böcker, Ph. A. Bopp, and J. Brickmann
in: Modelling of Molecular Structures and Properties, Studies in
Physical Chemistry and Biophysics, Elsevier 1990
46. Molecular Dynamics (MD) Computer Simulations of Hydrogen-Bonded
Liquids
Ph. A. Bopp
in: Intermolecular Forces -An Introduction on Modern Methods and
Results, edited by P.L. Huyskens, W.A.P. Luck, and
T. Zeegers-Huyskens, Springer Verlag 1991
47. Molecular Dynamics Simulation of the Interface
Aqueous Ionic Solution / Lipid Membrane
K. Nicklas, J. Böcker, M. Schlenkrich, Ph. A. Bopp, and J. Brickmann
in Procedings of the Workshop "Software Entwicklung in der Chemie IV"
Hochfilzen November 22-25 1988, edited by J.Gasteiger,
Springer Verlag, 1990
48. A Molecular Dynamics Simulation of an Aqueous Beryllium
Chloride Solution
M. M. Probst, E. Spohr, K. Heinzinger, and Ph. A. Bopp
Molecular Simulation, 7, 43 (1991)
49. Computer Simulation Studies of the Adsorption of Water on
a Metal Surface
E. Spohr, M. Wolfsberg, and Ph. A. Bopp
Z.Naturforsch. 46a,174 (1991)
50. Molecular Dynamics Investigation of the Inter- and
Intramolecular Motions in Liquid Methanol and Methanol-Water
Mixtures
G. Pálinkás, I. Bakó, K. Heinzinger, and Ph. A. Bopp
Mol.Phys. 73,897 (1991)
51. The Structure of an Ionic Solution Near a Membrane Surface
K. Nicklas, J. Böcker, M. Schlenkrich, Ph. A. Bopp, and J. Brickmann
Biophys.J. 60,261 (1991)
52. Simulation Studies of the Interface Between an Aqueous Solution
and a Model Membrane
Ph. A. Bopp, K. Nicklas, M. Schlenkrich, J. Böcker, and J. Brickmann
Ukr.J.Phys.
53. Computer Simulations of Ionic Solvation
Ph. A. Bopp
in: Condensed Matter Physics Aspects of Electrochemistry,
Procedings of the Working Party on Electrochemistry, ICTP Trieste 1990,
edited by M.P. Tosi and A.A. Kornyshev,
World Scientific Publishing Co. 1991
54. Molecular Dynamics Study of the Interface
Amphiphile Molecules/Ionic Solution
J. Böcker, M. Schlenkrich, K. Nicklas, J. Brickmann, and Ph. A. Bopp
J.Chim.Physique, 88, 2535 (1991)
55. A Molecular Dynamics Study of a Nearly Incommensurate
Overlayer on a Metal Substrate
J. E. Black, A. Janzen, and Ph. A. Bopp
Surface Science, 259, 371 (1991)
56. Molecular Dynamics Simulation of Zeolite NaY. A Study
of Structure, Dynamics and Thermalisation of Sorbates
G. Schrimpf, M. Schlenkrich, J. Brickmann, and Ph. A. Bopp
J.Phys.Chem, 96, 7404 (1992)
57. Molecular Dynamics Simulation of a n-Hexadecyltrimethyl-
ammonium Chloride Monolayer
J. Böcker, M. Schlenkrich, Ph. A. Bopp, and J. Brickmann
J.Phys.Chem. 96, 9915 (1992)
58. Modelling the H3O+-Ion: A Simulation Study of an
Aqueous HCl solution
N. Laurs and Ph. A. Bopp
Ber.Bunsen.Phys.Chem. 97, 982 (1993)
59. The Reorientational Dynamics in Liquid Methanol
T. Bultmann, K. Kemeter, Ch. Rusbüldt, Ph. A. Bopp, and N. Ernsting
Procedings of the 26 Jerusalem Symposium in Quantum Chemistry
and Biochemistry, "Reaction Dynamics in Clusters and Condensed Phases",
Edited by A.Pullman, B.Pullman, and J.Jortner, 1993
60. A Modelling Study of the Conformational Motions of
Tetrahydrofurane in Various Environments
W. Meier and Ph. A. Bopp
Cond.Mat.Phys. (Kiev, Naukova Dumka) 2, 58 (1993)
61. Conformational Analysis of Flavone, Vibrational and
Quantum Mechanical Studies
L. Vrielynck, J. P. Cornard, J. C. Merlin, and Ph. A. Bopp
J.Mol.Struct. 297, 227 (1993)
62. Computer simulation studies of a model system for liquid
crystals consisting of semiflexible molecules
K. Nicklas, Ph. A. Bopp, and J. Brickmann
Polymer Preprints, Japan, Vol.42, No.9 (1993)
63. Molecular Dynamics Simulation Study of an n-Decyltrimethylammonium
Micelle in Water
J. Böcker, Ph. A. Bopp, and J. Brickmann
J.Phys.Chem. 98, 712 (1994)
64. Computer Simulation Studies of a Model System for Liquid Cristals
Consisting of Semiflexible Molecules
K. Nicklas, Ph. A. Bopp, and J. Brickmann
J.Chem.Phys. 101, 3157 (1994)
65. Ab-initio Studies on Tetramethylurea and Tetramethythiourea
K. Tóth, Ph. A. Bopp, M. Peräkylä, T. A. Pakkanen, and G. Jancsó
J.Mol.Struct. 312, 93 (1994)
66. The Anisotropy of the Molecular Reorientational Motions in
Liquid Methanol
R. Ludwig, Ch. Rusbüldt, Ph. A. Bopp, and M. D. Zeidler
Z.Naturforsch. 50a, 211 (1994)
67. Comparison of the Structure of Liquid Amides as
Determined by Diffraction Experiments and Molecular Dynamics
Simulations
P. C. Schoester, M. D. Zeidler, T. Radnai, and Ph. A. Bopp
Z.Naturforsch. 50a, 38 (1995)
68. Theoretical Investigation on 1,2-Ethanediol: The Problem of
Intramolecular Hydrogen Bonds
S. Reiling, M. Schlenkrich, Ph. A. Bopp, and J. Brickmann
J.Comp.Chem. 17, 133 (1996)
69. Static Nonlocal Dielectric Function of Liquid Water
Ph. A. Bopp, A. A. Kornyshev, and G. Sutmann
Phys.Rev.Let. 76, 1280 (1996)
70. Ab-initio studies of the interaction of water with
tetramethylurea and tetramethylthiourea
K. Tóth, Ph. A. Bopp, and G. Jancsó
J.Mol.Struct. 381, 181 (1996)
71. Molecular Dynamics Computer Simulations of a Solution
of I2 in Pyridine
S. Reiling, M. Besnard, Ph. Lalanne, and Ph. A. Bopp
Proceedings of the Adriatico Research Conference
"Electron and Ion Transfer in Condensed Media", A.A.Kornyshev,
M.Tosi, and J.Ulstrup, Editors, World Scientific, 1997.
(ISBN 981-02-2929-1)
72. Theoretical Studies on the Pyridine-I Charge-transfer Complex:
I. Ab-Initio Calculations on I and Pyridine-I
S. Reiling, M. Besnard, and Ph. A. Bopp
J.Phys.Chem. 101, 4409 (1997)
73. Frequency and Wave-Vector Dependent Dielectric Function of Water:
Collective Modes and Relaxation Spectra
Ph. A. Bopp, A. A. Kornyshev, and G. Sutmann
J.Chem.Phys. 109, 1939 (1998)
74. MD studies of electrolyte solutions/liquid mercury interfaces
Ph. A. Bopp and K. Heinzinger
J.Electroanal.Chem. 450, 165 (1998)
75. Computer Simulations of Electrochemical Systems
Ph. A. Bopp, A. Kohlmeyer, and E. Spohr
Electrochimica Acta, 43, 2911 (1998)
76. Interaction of Aluminium(III) with Water, an
Ab-Initio Study
A. Bakker, K. Hermansson, J. Lindgren, M. M. Probst, and Ph. Bopp
Int.J.Quant.Chem. 75, 659 (1999)
77. The nuclear quadrupole coupling constants of methanol in mixtures
with CCl4 by molecular dynamics and ab initio calculations
P. J. Merkling, M. D. Zeidler, and Ph. A. Bopp
J.Mol.Liq., 85, 57 (2000)
78. Molecular Dynamics Simulation of an Aqueous Aluminium(III) Chloride
Solution with Three-Body Interactions
A. Lauenstein, K. Hermansson, J. Lindgren, M. M. Probst, and Ph. A. Bopp
Int.J.Quant.Chem., 80, 892 (2000)
79. Coupled molecular dynamics / semi-empirical simulation
of organic solutes in polar liquids: I. Naphtalene in Acetonitrile
F. Cichos, R. Brown, and Ph. A. Bopp
J.Chem.Phys., 114, 6824 (2001)
80. Coupled molecular dynamics / semi-empirical simulation
of organic solutes in polar liquids: II. Coumarine 153 in
Methanol and Acetonitrile
F. Cichos, R. Brown, and Ph. A. Bopp
J.Chem.Phys., 114, 6834 (2001)
81. Hydration of Bromine Ions in Monocharged Supercritical Aqueous
Electrolytes
G. Ferlat, A. San Miguel, J.-F. Jal, J.-C. Soetens, Ph. A. Bopp,
I. Daniel, S. Guillot, J.-L. Hazemann, and R. Argoud
Phys.Rev. B, 63, 134202 (2001)
82. A Molecular Dynamics Study of Thermal Diffusion in a Porous Medium
J. Colombani, G. Galliero, B. Duguay, J.-P. Caltagirone, F. Montel,
and Ph. A. Bopp
PCCP, 4, 313, (2002)
83. Structural disorder in supercritical aqueous ionic solutions
as seen by MD-EXAFS
G. Ferlat, A. San Miguel, J.-C. Soetens, and Ph. A. Bopp
High Pressure Research, 22, 399 (2002)
84. The Quest for Ion Pairing in Supercritical Aqueous Electrolytes
G. Ferlat, A. San Miguel, J.-F. Jal, J.-C. Soetens, Ph. A. Bopp
J.-L. Hazemann, D. Testemale, and I. Daniel
J. Mol. Liq. 101, 127 (2002)
85. Studienreform in der Chemie: Zum Stand der Diskussion an einer
französischen Universität
Ph. A. Bopp
Bunsen-Magazin, 5, 102 (2002) Full text (Deutsche Bunsengesellschaft)
86. The Static Dielectric Constant and Molecular Geometries in Ambient Water
Studied by Reverse Monte Carlo Simulations
L. Pusztai, J.-C. Soetens, and Ph. A. Bopp
Physica A, 323, 42 (2003)
87. Molecular dynamics study of thermal diffusion in a binary mixture
of alkanes trapped in a slit pore
J. Colombani, G. Galliéro, B. Duguay, J-P. Caltagirone,
F. Montel, and Ph. A. Bopp
Phil. Mag. 83, 2087 (2003)
88. A Molecular Dynamics Study of a Liquid-Liquid-Interface:
Structure and Dynamics
J. B. Buhn, Ph. A. . Bopp, and M. J. Hampe
Fluid Phase Equilibria, 224, 221 (2004)
89. Combining extended x-ray absorption fine structure with numerical
simulations for disordered systems
G. Ferlat, J. C. Soetens, A. San Miguel, and Ph. A. Bopp
J.Phys.: Condens Matter 17, 145 (2005)
90. Jürgen Brickmann zum 65. Geburtstag
Ph. A. Bopp
Bunsen-Magazin 3, 78 (2004) Full text (Deutsche Bunsengesellschaft)
91. Molecular Dynamics (MD) Simulation
Ph. A. Bopp, J. B. Buhn, and M. J. Hampe
Ullmann's Encyclopedia of Industrial Chemistry,
Electronic Release, 7th ed., Wiley-VCH, Weinheim July 2004
92. Veut-on une recherche universitaire en France (original manuscript)
Ph. A. Bopp
Was posted on Arborescience Web site 24-6-04, since removed
93. Molecular Dynamics Simulation Studies of the Adsorption and
Diffusion of p-Xylene in Si-MCM-41
T. Nanok, Ph. A. Bopp, and J. Limtrakul
Z. Naturforsch., 60a, 805, (2005) Full Text (Z.Naturforsch.)
94. Thermal Diffusion in Micropores by Molecular Dynamics
Computer Simulations
G. Galliéro, J. Colombani, Ph. A. Bopp, B. Duguay, J.-P. Caltagirone,
and F. Montel
Physica A, 361, 494 (2006) Full text (ScienceDirect)
95. Structural and dynamical properties of liquid-liquid interfaces:
A systematic molecular dynamics study
J. B. Buhn, Ph. A. Bopp, and M. B. Hampe
J. Mol. Liq. 125, 187 (2006) Full text (ScienceDirect)
96. Molecular dynamics simulations of aqueous RbBr-solutions over the
entire solubility range at room temperature
Ildikó Harsányi, Lászlo Pusztai, Jean-Christophe Soetens, and Philippe A. Bopp
J. Mol. Liq. 129, 80 (2006) Full text (ScienceDirect)
97. Relation between hydrogen bonding and intramolecular motions in
liquid and supercritical methanol
J.-M. Andansson, Ph. A. Bopp, and J.-C. Soetens
J. Mol. Liq. 129, 101 (2006) Full text (ScienceDirect)
98. Ein Hoch auf die brotlosen Künste
Ph. A. Bopp
labor&more, 2/2007 p. 30 Full text (succidia)
99. Neutron and X-ray diffraction studies of aqueous rubidium bromide solutions
I. Harsányi, P. Jóvári, G. Mészáros, L. Pusztai, and Ph. A. Bopp
J. Mol. Liq. 131-132, 60 (2007) Full text (ScienceDirect)
100. Scope and Limits of Molecular Simulations
Ph. A. Bopp, J. B. Buhn, H. A. Maier, and M. J. Hampe
Chem. Eng. Commun. 195 (11) 1437-1464 (2008)
101. Structure and diffusion of water molecules in chabazite: A molecular dynamics study
S. Jost, P. Biswas, A. Schüring, J. Kärger, Ph. A. Bopp, R. Haberland, and S. Fritzsche
J. Phys. Chem. C, 111, 14707-14712 (2007) Full text (ACS)
102. Université: La grande illusion, Anlass für einen Blick über den Zaun
Ph. A. Bopp
labor&more, 4/08 S. 18 full text (succidia)
103. Molecular dynamics simulations of aqueous LiCl solutions at room temperature
through the entire concentration range
K. Ibuki and Ph. A. Bopp
J. Mol. Liq. 147, 56-63 (2009) (WEB version (Sept. 2008))
104. Structure and dynamics of water confined in single-wall nanotubes.
T. Nanok, N. Artrith, P. Pantu, Ph. A. Bopp, and J. Limtrakul
J. Phys. Chem. A 113, 2103-2108 (2009) Full text (ACS)
105. The permeation of methane molecules through silicalite--1 surfaces
S. Thompho, R. Chanajaree, T. Remsungnen, S. Hannongbua,
Ph. A. Bopp and S. Fritzsche
J. Phys. Chem. A 113, 2004-2014 (2009) Full text (ACS)
106. Density functional calculations of structural and electronic properties
of a BN-doped carbon nanotube
N. Krainara, S. Nokbin, P. Khongpracha, Ph. A. Bopp, and J. Limtrakul
CARBON 48(1), 176-183 (2010) Full text (ScienceDirect)
107. Density functional theory evidence for an electron hopping process
in single-walled carbon nanotube-mediated redox reactions
T. Nongnual, S. Nokbin, P. Khongpracha, Ph. A. Bopp, and J. Limtrakul
CARBON 48(5), 1524-1539 (2010) Full text (ScienceDirect)
108. On the hydration structure of LiCl aqueous solutions: a Reverse Monte Carlo based
combination of diffraction data and Molecular Dynamics simulations
I. Harsányi, Ph. A. Bopp, A. Vrhovšek, and L. Pusztai
J. Mol. Liq. 158(1), 61-67 (2011) Full text (ScienceDirect)
109. Water Dynamics in Chabazite
R. Chanajaree, Ph. A. Bopp, J. Kärger, and S. Fritzsche
Microporous & Mesoporous Materials 146, 106-118 (2011) (Corma Festschrift) Online preprint Feb. 10, 2011 (from ScienceDirect)
110. The vibrating hydroxide ion in water
K. Hermansson, Ph. A. Bopp, D. Spångberg, L. Pejov, I. Bakó, and P. D. Mitev
Chem.Phys.Let. 514(1-3), 1-15 (2011)
111. Mäßige Aufregung über EHEC in Frankreich
labor&more, 4.11, 26 (2011)
112. MD Simulations of the Soret Effect in Simple Partially Miscible Binary
Biphasic Mixtures
H. A. Maier, M. J. Hampe, and Ph. A. Bopp
Chem.Phys.Let. 518, 55-60 (2011) Full text (ScienceDirect)
113. Non-Equilibrium Molecular Dynamics Simulation of the Thermocapillary Effect
H. A. Maier, Ph. A. Bopp, and M. J. Hampe
Can.J.Chem.Eng. in press (web preprint)
114. Ion clusters and ion-water potentials in MD-simulations
Ph. A. Bopp and K. Ibuki
Condensed Matter Physics, in press (will be available at arXiv.org)
115. Der Computer als Brennglas und Analysewerkzeug
Ph. A. Bopp
to be submitted to Chemie in unserer Zeit
116. Raman and IR spectra of OH- in aqueous solution
P. Mitev, Ph. A. Bopp, J. Petreska, K. Coutinho, L. Pejov, and K. Hermansson
submitted