Theoretical Chemistry
Welcome to the website of the Theoretical Chemistry Group.We are part of the Institute for Molecules and Materials at the Radboud University Nijmegen.
Please look around to learn more about our research and us.
Upcoming event:
Summerschool: Chemistry and Infrared Spectroscopy of Interstellar DustStaff
Name | Position | Room number | Phone number +31-(0)24-36 |
| Dr. ir. Gerrit C. Groenenboom | group leader | HG03.040 | 53034 |
| Dr. Herma M. Cuppen | tenure track | HG03.041 | 53035 |
| Marieke Egbertsen | secretary | HG03.028 | 52091 |
| Prof. dr. ir. Ad van der Avoird | emeritus | HG03.040 | 53037 |
Postdocs
Name | Room number | Phone number +31-(0)24-36 |
| Dr. Simone Tatoli | HG03.609 | 52596 |
| Dr. Alexander Atamas | HG03.609 | 52596 |
PhD Students
Name | Room number | Phone number +31-(0)24-36 |
| Drs Liesbeth Janssen | HG03.044 | 53037 |
| MSc Leendertjan Karssemeijer | HG03.609 | 52596 |
| MSc Dennis Grimminck | HG03.344 | 52324 |
| MSc Lei Song | HG03.044 | 53037 |
| MSc Joost A. van den Ende | HG03.609 | 52592 |
| MSc Eduardo M. Penteado | HG03.609 | 52592 |
Master Students
Name | Room number | Phone number +31-(0)24-36 |
| Simon Gückel | HG03.344 | 52324 |
| Rik Sprenkels | HG03.344 | 52324 |
| Ing. Dick Tanis | ||
| Tijs Karman | HG03.344 | 52324 |
| Jolijn Onvlee |
Bachelor Students
Name | Room number | Phone number +31-(0)24-36 |
| Mark Verleg | ||
| Xander de Vries |
Guest Researchers
Name | Position | Room number | Phone number +31-(0)24-36 |
| MSc Thanja Lamberts | PhD Student | HG03.609 | 52596 |
Former group members
Postal address
Radboud University Nijmegen
IMM - Faculty of Science
P.O. Box 9010
6500 GL Nijmegen
The Netherlands
Visiting address
Huygens building
Heyendaalseweg 135
6525 AJ Nijmegen
The Netherlands
Radboud University Nijmegen
IMM - Faculty of Science
P.O. Box 9010
6500 GL Nijmegen
The Netherlands
Visiting address
Huygens building
Heyendaalseweg 135
6525 AJ Nijmegen
The Netherlands
Constructed by the Theoretical Chemistry Literature Database
- Scattering resonances in slow NH3-He collisions
Koos B. Gubbels, Sebastiaan Y. T. van de Meerakker, Gerrit C. Groenenboom, Gerard Meijer, and A. van der Avoird
J. Chem. Phys., , accepted (2012) [pdf] © - Resonances in rotationally inelastic scattering of OH(X2Π) with helium and neon
Koos B. Gubbels, Qianli Ma, Millard Alexander, Paul Dagdigian, Dick Tanis, Gerrit C. Groenenboom, and A. van der Avoird Sebastiaan Y. T. van de Meerakker
submitted, , xxx (2012) [pdf] - Control and imaging of O(1D2) precession
Shiou-Min Wu, Dragana Č. Radenović, Wim J. van der Zande, Gerrit C. Groenenboom, David H. Parker, Claire Vallance, and Richard N. Zare
Nature Chemistry, 3, 28 (2011) [doi] [pdf] - Intermolecular potential and rovibrational states of the H2O-D2 complex
A. van der Avoird, Y. Scribano, A. Faure, M. J. Weida, J. R. Fair, and D. J. Nesbitt
Chem. Phys., , in press (2011) [doi] - Rovibrational states of the H2O-H2 complex; an ab initio calculation
A. van der Avoird and D. J. Nesbitt
J. Chem. Phys., 134, 044314 (2011) [pdf] © - Scattering of Stark-decelerated OH radicals with rare-gas atoms
Ludwig Scharfenberg, Koos B. Gubbels, Moritz Kirste, Gerrit C. Groenenboom, Ad van der Avoird, Gerard Meijer, and Sebastiaan Y. T. van de Meerakker
Eur. Phys. J. D, 65, 189 (2011) [doi] [arXiv:1101.0948] [pdf] - Line formation in solar granulation VIII. N I, NH and CN lines and the solar photospheric N abundance
A. J. Sauval, M. Asplund, N. Grevesse, M. C. van Hemert, G. C. Groenenboom, and R. Blomme
Astron. Astrophys., , in preparation (2011) - Water formation by surface O3 hydrogenation
C. Romanzin, S. Ioppolo, H. M. Cuppen, E. F. van Dishoeck, and H. Linnartz
J. Chem. Phys., 134, 084504 (2011) [doi] [adsabs] - Towards the complete experiment: Measurement of S(1D2) polarization in correlation with single rotational states of CO(J) from the photodissociation of oriented OCS(v2=1|JlM=111)
M. Laura Lipciuc, T. Peter Rakitzis, W. Leo Meerts, Gerrit C. Groenenboom, and Maurice H. M. Janssen
Phys. Chem. Chem. Phys., 13, 8549 (2011) [doi] [pdf] - Cold and ultracold NH-NH collisions: The field-free case
Liesbeth M. C. Janssen, Piotr. S. Żuchowski, Ad van der Avoird, Jeremy M. Hutson, and Gerrit C. Groenenboom
J. Chem. Phys., 134, 124309 (2011) [arXiv:arXiv:1012.0804] [pdf] © - Cold and ultracold NH-NH collisions in magnetic fields
Liesbeth M. C. Janssen, Piotr. S. Żuchowski, Ad van der Avoird, Gerrit C. Groenenboom, and Jeremy M. Hutson
Phys. Rev. A, 83, 022713 (2011) [doi] [arXiv:arXiv:1012.2814] [pdf] - On the role of the magnetic dipolar interaction in cold and ultracold collisions: Numerical and analytical results for NH(3Σ-) + NH(3Σ-)
Liesbeth M. C. Janssen, Ad van der Avoird, and Gerrit C. Groenenboom
Eur. Phys. J. D, 65, 177 (2011) [doi] [arXiv:arXiv:1103.4274] [pdf] - Surface formation of CO2 ice at low temperatures
S. Ioppolo, Y. van Boheemen, H. M. Cuppen, E. F. van Dishoeck, and H. Linnartz
Mon. Not. R. Astron. Soc., 413, 2281 (2011) [doi] [adsabs] - Surface formation of HCOOH at low temperature
S. Ioppolo, H. M. Cuppen, E. F. van Dishoeck, and H. Linnartz
Mon. Not. R. Astron. Soc., 410, 1089 (2011) [doi] [adsabs] - Surface formation routes of interstellar molecules: hydrogenation reactions in simple ices
S. Ioppolo, H. M. Cuppen, and H. Linnartz
Rendiconti Lincei, 22, 211 (2011) [doi] - Schrödinger vergelijking voor een emmer water
Gerrit C. Groenenboom and Ad van der Avoird
Nederlands Tijdschrift voor Natuurkunde (Special Fysische chemie), 77, 220 (2011) [http://www.ntvn.nl] [pdf] - Laboratory H2O:CO2 ice desorption data: entrapment dependencies and its parameterization with an extended three-phase model
E. C. Fayolle, K. I. Oberg, H. M. Cuppen, R. Visser, and H. Linnartz
Astron. Astrophys., 529, A74 (2011) [doi] [adsabs] - CO ice mixed with CH3OH: the answer to the non-detection of the 2152 cm-1 band?
H. M. Cuppen, E. M. Penteado, K. Isokoski, N. van der Marel, and H. Linnartz
Mon. Not. R. Astron. Soc., in press, A151 (2011) [crossref] - Modelling of surface chemistry on an inhomogeneous interstellar grain
H. M. Cuppen and R. T. Garrod
Astron. Astrophys., 529, A151 (2011) [doi] [adsabs] - Product pair correlation in CH3OH photodissociation at 157 nm: the OH+CH3 channel
Zhichao Chen, Andre T. J. B. Eppink, Bo Jiang, Gerrit C. Groenenboom, Xueming Yang, and David H. Parker
Phys. Chem. Chem. Phys., 13, 2350 (2011) [doi] [pdf] - Photochemistry of polycyclic aromatic hydrocarbons in cosmic water ice. II. Near UV/VIS spectroscopy and ionization rates
J. Bouwman, H. M. Cuppen, M. Steglich, L. J. Allamandola, and H. Linnartz
Astron. Astrophys., 529, A46 (2011) [doi] [adsabs] - Producing translationally cold, ground-state CO molecules
Janneke H. Blokland, Jens Riedel, Stephan Putzke, Boris G. Sartakov, Gerrit C. Groenenboom, and Gerard Meijer
J. Chem. Phys., 135, 114201 (2011) [arXiv:1109.6203] [pdf] © - Molecular dynamics simulations of D2O ice photodesorption
C. Arasa, S. Andersson, H. M. Cuppen, E. F. van Dishoeck, and G. J. Kroes
J. Chem. Phys., 134, 164503 (2011) [doi] [arXiv:1105.1079] [adsabs] - Angular momentum polarisation in the O(1D) products of O2 photolysis via the B3Σu- state
Shiou-Min Wu, Dmitri Chestakov, Gerrit C. Groenenboom, Wim J. van der Zande, David H. Parker, Guorong Wu, Xueming Yang, and Claire Vallance
Mol. Phys., 108, 1145 (2010) [doi] [pdf] - Reaction Networks for Interstellar Chemical Modelling: Improvements and Challenges
V. Wakelam, I. W. M. Smith, E. Herbst, J. Troe, W. Geppert, H. Linnartz, K. Oberg, E. Roueff, M. Agúndez, P. Pernot, H. M. Cuppen, J. C. Loison, and D. Talbi
Space Sci. Rev., 156, 13 (2010) [doi] [arXiv:1011.1184] [adsabs] - Comment on: The molecular symmetry group of the CO dimer and the assignments of the intermolecular vibrations, by: K. M. T. Yamada, J. Mol. Spectrosc. 254 (2009) 87
A. van der Avoird and L. Surin
J. Mol. Spectrosc., 259, 60 (2010) [doi] - Vibration-rotation-tunneling states of the benzene dimer: an ab initio study
A. van der Avoird, R. Podeszwa, K. Szalewicz, C. Leforestier, R. van Harrevelt, P. R. Bunker, M. Schnell, G. von Helden, and G. Meijer
Phys. Chem. Chem. Phys., 12, 8219 (2010) [doi] [pdf] - NWO Astrochemistry Program
Petra Rudolf, Wim Ubachs, Wybren Jan Buma, Ewine van Dishoeck, Gerrit C. Groenenboom, F. Matthias Bickelhaupt, Harold Linnartz, Xander Tielens, Jos Oomens, Pascale Ehrenfreund, and Ben Feringa (The Netherlands, 2010) [http://www.nwo.nl/nwohome.nsf/pages/NWOA/~7W7KHR] [pdf] - Methanol maps of low-mass protostellar systems. I. The Serpens molecular core
L. E. Kristensen, E. F. van Dishoeck, T. A. van Kempen, H. M. Cuppen, C. Brinch, J. K. Jørgensen, and M. R. Hogerheijde
Astron. Astrophys., 516, A57 (2010) [doi] [arXiv:1004.2217] [adsabs] - Water dimer vibration-rotation tunneling levels from vibrationally averaged monomer wavefunctions
R. E. A. Kelly, J. Tennyson, G. C. Groenenboom, and A. van der Avoird
J. Quant. Spectrosc. Radiat. Transfer, 111, 1262 (2010) [doi] [pdf] - Publisher's Note: ``Ab initio potential energy surfaces for NH(3Σ-)-NH(3Σ-) with analytical long range'' [J. Chem. Phys. 131, 224314 (2009)]
Liesbeth M. C. Janssen, Gerrit C. Groenenboom, Ad van der Avoird, Piotr. S. Żuchowski, and Rafal Podeszwa
J. Chem. Phys., 132, 029902 (2010) [doi] [pdf] © - Water formation at low temperatures by surface O2 hydrogenation I: characterization of ice penetration
S. Ioppolo, H. M. Cuppen, C. Romanzin, E. F. van Dishoeck, and H. Linnartz
Phys. Chem. Chem. Phys., 12, 12065 (2010) [doi] [arXiv:1009.5272] [adsabs] - Cold and ultracold collisions
Gerrit C. Groenenboom and Liesbeth M. C. Janssen
in: Tutorials in molecular reaction dynamics, edited by M. Brouard and C. Vallance, page 392 (RSC, Cambridge, 2010) [http://www.rsc.org/Shop/books/2010/9780854041589.asp] [pdf] - H2 reformation in post-shock regions
H. M. Cuppen, L. E. Kristensen, and E. Gavardi
Mon. Not. R. Astron. Soc., 406, L11 (2010) [doi] [arXiv:1005.1847] [adsabs] - Water formation at low temperatures by surface O2 hydrogenation II: the reaction network
H. M. Cuppen, S. Ioppolo, C. Romanzin, and H. Linnartz
Phys. Chem. Chem. Phys., 12, 12077 (2010) [doi] [arXiv:1009.5273] [adsabs] - Photochemistry of the PAH pyrene in water ice: the case for ion-mediated solid-state astrochemistry
J. Bouwman, H. M. Cuppen, A. Bakker, L. J. Allamandola, and H. Linnartz
Astron. Astrophys., 511, A33 (2010) [doi] [arXiv:0911.1750] [adsabs] - Molecular dynamics simulations of the ice temperature dependence of water ice photodesorption
C. Arasa, S. Andersson, H. M. Cuppen, E. F. van Dishoeck, and G.-J. Kroes
J. Chem. Phys., 132, 184510 (2010) [doi] [arXiv:1005.3617] [adsabs] - Erratum: Spin-orbit relaxation of Cl(2P1/2) and F(2P1/2) in a gas of H2
Erik Abrahamsson, Gerrit C. Groenenboom, and Roman V. Krems
J. Chem. Phys., 133, 109902 (2010) [doi] [pdf] © - Dynamics of OH(2Π)-He collisions in combined electric and magnetic fields
Timur V. Tscherbul, Gerrit C. Groenenboom, Roman V. Krems, and Alexander Dalgarno
Faraday Discuss., 142, 127 (2009) [doi] [arXiv:0811.4018] [http://www.rsc.org/ConferencesAndEvents/RSCConferences/FD142/index.asp] [pdf] - Towards the complete understanding of water by a first-principles computational approach
K. Szalewicz, C. Leforestier, and A. van der Avoird
Chem. Phys. Lett., 482, 1 (2009) [doi] [pdf] - Photodissociation dynamics of the A2Σ+ state of SH and SD radicals
Rebecca A. Rose, Andrew J. Orr-Ewing, Chung-Hsin Yang, Konstantin Vidma, Gerrit C. Groenenboom, and David H. Parker
J. Chem. Phys., 130, 034307 (2009) [doi] [pdf] © - Predissociation of the A 2Σ+ (v'=3) state of the OH radical
Dragana Č. Radenović, André J. A. van Roij, Shiou-Min Wu, J. J. ter Meulen, David H. Parker, Mark P. J. van der Loo, and Gerrit C. Groenenboom
Phys. Chem. Chem. Phys., 11, 4754 (2009) [doi] [pdf] - Cold collisions of OH(2Π) molecules with He atoms in external fields
Zoran Pavlovic, Timur V. Tscherbul, Hossein R. Sadeghpour, Gerrit C. Groenenboom, and Alex Dalgarno
J. Phys. Chem. A, 113, 14670 (2009) [doi] [pdf] - Quantification of segregation dynamics in ice mixtures
K. I. Oberg, E. C. Fayolle, H. M. Cuppen, E. F. van Dishoeck, and H. Linnartz
Astron. Astrophys., 505, 183 (2009) [doi] [arXiv:0907.3948] [adsabs] - Vibration-rotation-tunneling levels of the water dimer from an ab initio potential surface with flexible monomers
C. Leforestier, R. van Harrevelt, and A. van der Avoird
J. Phys. Chem. A, 113, 12285 (2009) [doi] - Ab initio potential energy surfaces for NH (3Σ-) - NH (3Σ-) with analytical long range
Liesbeth M. C. Janssen, Gerrit C. Groenenboom, Ad van der Avoird, Piotr S. Żuchowski, and Rafał Podeszwa
J. Chem. Phys., 131, 224314 (2009) [doi] [pdf] © - Bound states of the OH(2Π)-HCl complex on ab initio diabatic potentials
Gerrit C. Groenenboom, Anna V. Fishchuk, and A. van der Avoird
J. Chem. Phys., 131, 124307 (2009) [doi] [pdf] © - A kinetic Monte Carlo study of desorption of H2 from graphite (0 0 0 1)
E. Gavardi, H. M. Cuppen, and L. Hornekaer
Chem. Phys. Lett., 477, 285 (2009) [doi] [adsabs] - Hydrogenation reactions in interstellar CO ice analogues. A combined experimental/theoretical approach
G. W. Fuchs, H. M. Cuppen, S. Ioppolo, C. Romanzin, S. E. Bisschop, S. Andersson, E. F. van Dishoeck, and H. Linnartz
Astron. Astrophys., 505, 629 (2009) [doi] [adsabs] - Photodissociation imaging of diatomic sulfur (S2)
Pim W. J. M. Frederix, Chung-Hsin Yang, Gerrit C. Groenenboom, David H. Parker, Koutayba Alnama, Colin M. Western, and Andrew J. Orr-Ewing
J. Phys. Chem. A, 113, 14995 (2009) [doi] [pdf] - Correlated fine structure branching ratios arising from state- selected predissociation of ClO (A2Π3/2)
Kristin S. Dooley, Michael P. Grubb, Justine Geidosch, Marloes A. van Beek, Gerrit C. Groenenboom, and Simon W. North
Phys. Chem. Chem. Phys., 11, 4770 (2009) [doi] [pdf] - Microscopic simulation of methanol and formaldehyde ice formation in cold dense cores
H. M. Cuppen, E. F. van Dishoeck, E. Herbst, and A. G. G. M. Tielens
Astron. Astrophys., 508, 275 (2009) [doi] [arXiv:0911.0283] [adsabs] - Linear response time dependent density functional theory for dispersion coefficients between atomic pairs
Xi Chu and Gerrit C. Groenenboom
in: Proceedings of the Dalgarno celebratory symposium, edited by J. F. Babb, K. Kirby, and H. Sadeghpour, 56-65 (World Scientific, Singapore, 2009, ISBN 978-1-84816-469-7) [http://www.amazon.com/Proceedings-Dalgarno-Celebratory-Symposium-Contributions/dp/1848164696/ref=sr/~1/~1?ie=UTF8&s=books&qid=1262739420&sr=1-1] [pdf] - Real-Time Optical Spectroscopy of Vacuum Ultraviolet Irradiated Pyrene:H2O Interstellar Ice
J. Bouwman, D. M. Paardekooper, H. M. Cuppen, H. Linnartz, and L. J. Allamandola
Astrophys. J., 700, 56 (2009) [doi] [arXiv:0906.1513] [adsabs] - Photoinduced Dynamics in OH, H2, and N2O
Mark P. J. van der Loo , Ph. D. thesis (Radboud University Nijmegen, 2008) [pdf] [pdf with hyperlinks] - Erratum: ``Theoretical transition probabilities for the OH Meinel system'' [J. Chem. Phys. 126, 114314 (2007)]
Mark P. J. van der Loo and Gerrit C. Groenenboom
J. Chem. Phys., 128, 159902 (2008) [doi] [pdf] © - Water trimer torsional spectrum from accurate ab initio and semiempirical potentials
A. van der Avoird and K. Szalewicz
J. Chem. Phys., 128, 014302 (2008) [doi] [pdf] © - Laboratory Evidence for Efficient Water Formation in Interstellar Ices
S. Ioppolo, H. M. Cuppen, C. Romanzin, E. F. van Dishoeck, and H. Linnartz
Astrophys. J., 686, 1474 (2008) [doi] [arXiv:0807.0129] [adsabs] - New ab initio potential energy surface and the vibration-rotation-tunneling levels of (H2O)2 and (D2O)2
X. Huang, B. J. Braams, J. M. Bowman, R. E. A. Kelly, J. Tennyson, G. C. Groenenboom, and A. van der Avoird
J. Chem. Phys., 128, 034312 (2008) [doi] [pdf] © - Kinetic Monte Carlo studies of hydrogen abstraction from graphite
H. M. Cuppen and L. Hornekaer
J. Chem. Phys., 128, 174707 (2008) [doi] [arXiv:0807.0108] [adsabs] - Formation of alcohols on ice surfaces
H. M. Cuppen, G. W. Fuchs, I. Ioppolo, S. E. Bisschop, K. I. Oberg, E. F. van Dishoeck, and H. Linnartz
in: IAU Symposium, edited by S. Kwok and S. Sandford, volume 251 of IAU Symposium, 377-382 (2008) [doi] [adsabs] - An accurate analytic representation of the water pair potential
W. Cencek, K. Szalewicz, C. Leforestier, R. van Harrevelt, and A. van der Avoird
Phys. Chem. Chem. Phys., 10, 4716 (2008) [doi] [pdf] - Time-domain measurement of spontaneous vibrational decay of magnetically trapped NH
Wesley C. Campbell, Gerrit C. Groenenboom, Hsin-I Lu, Edem Tsikata, and John M. Doyle
Phys. Rev. Lett., 100, 083003 (2008) [doi] [pdf] - Polarizable interaction potential for water from coupled cluster calculations. II. Applications to dimer spectra, virial coefficients, and simulations of liquid water
R. Bukowski, K. Szalewicz, G. C. Groenenboom, and A. van der Avoird
J. Chem. Phys., 128, 094314 (2008) [doi] [pdf] © - Polarizable interaction potential for water from coupled cluster calculations. I. Analysis of dimer potential energy surface
R. Bukowski, K. Szalewicz, G. C. Groenenboom, and A. van der Avoird
J. Chem. Phys., 128, 094313 (2008) [doi] [pdf] © - Robert Bukowski, Wojciech Cencek, Piotr Jankowski, Małgorzata Jeziorska, Bogumił Jeziorski, Stanisław A. Kucharski, Victor F. Lotrich, Alston J. Misquitta, Robert Moszynski, Konrad Patkowski, Rafał Podeszwa, Stanisław Rybak, Krzysztof Szalewicz, Hayes L. Williams, Richard J. Wheatley, Paul E.S. Wormer, and Piotr S. Żuchowski, University of Delaware and University of Warsaw
(2008) [http://www.physics.udel.edu/~szalewic/SAPT/SAPT.html] - Photodissociation of vibrationally excited OH/OD radicals
Dragana Č. Radenović, André J. A. van Roij, Shiou-Min Wu, J. J. ter Meulen, David H. Parker, Mark P. J. van der Loo, Liesbeth M. C. Janssen, and Gerrit C. Groenenboom
Mol. Phys., 106, 557 (2008) [doi] [pdf] - Lecture: Molecular rotations and vibrations
Ad van der Avoird (Nijmegen, 1991) [pdf]
Constructed by the Theoretical Chemistry Literature Database
- Photoinduced Dynamics in OH, H2, and N2O
Mark P. J. van der Loo , Ph. D. thesis (Radboud University Nijmegen, 2008) [pdf] [pdf with hyperlinks] - A fluorescence spectrum of molecular oxygen
H. Simeon Nieman (Radboud University Nijmegen, 2008) [pdf] - The potential energy surfaces of Ga-HCN
Vivike J. F. Lapoutre , Masters thesis (Theoretical Chemistry, IMM, Radboud University Nijmegen, 2008) [pdf] - Spectroscopy and photodissociation of ClO
Liesbeth M. C. Janssen (Radboud University Nijmegen, 2008) [pdf] - Reduced dimensionality quantum reaction dynamics of OH + CH4 → H2O + CH3
Liesbeth M. C. Janssen (University of Oxford and Radboud University Nijmegen, 2008) [pdf] - Theoretical study of open-shell van der Waals complexes
Anna V. Fishchuk , Ph. D. thesis (Radboud University Nijmegen, 2008) [pdf] - Nuclear motion of Van der Waals and hydrogen bonded systems
G. W. M. Vissers , Ph. D. thesis (University of Nijmegen, 2005) [pdf] - Introduction to time-independent scattering theory
Mark P. J. van der Loo and Gerrit C. Groenenboom (Nijmegen, 2005) [pdf] - Lecture: Quantum electrodynamics: one- and two-photon processes
Gerrit C. Groenenboom (Nijmegen, 2005) [pdf] - Dynamics of open-shell van der Waals complexes
W. B. Zeimen , Ph. D. thesis (University of Nijmegen, 2004) [pdf] - Lecture: Introduction to time-independent scattering theory
Gerrit C. Groenenboom (Nijmegen, 2004) [pdf] - Theory and calculations on the Herzberg states of the oxygen molecule
M. C. G. N. van Vroonhoven , Ph. D. thesis (University of Nijmegen, 2003) [pdf] - Lecture: Discrete variable representations
Gerrit C. Groenenboom (Nijmegen, 2001) [pdf] - Lecture: Angular momentum theory
Gerrit C. Groenenboom (Nijmegen, 1999) [pdf] - Quantum mechanical calculations on weakly interacting complexes
T. G. A. Heijmen , Ph. D. thesis (University of Nijmegen, 1998) - Computational studies of dynamical processes in weakly interacting atom-molecule complexes
G. C. M. van der Sanden , Ph. D. thesis (University of Nijmegen, 1996) - The vibrational-rotational-tunneling dynamics of Van der Waals and hydrogen bonded complexes
E. H. T. Olthof , Ph. D. thesis (University of Nijmegen, 1996) - Quasiclassical and semiclassical calculations on reactions with oriented molecules
A. J. H. M. Meijer , Ph. D. thesis (University of Nijmegen, 1996) [pdf] - Inleiding verstrooiingstheorie
J. G. Snijders (Groningen, 1995) [pdf] - The calculation of correlated frequency dependent polarizabilities and Van der Waals coefficients
H. Hettema , Ph. D. thesis (University of Nijmegen, 1993) - Lecture: Sparse matrices in quantum chemistry
Gerrit C. Groenenboom and Guillaume S. F. Dhont (Nijmegen, 1993) [pdf] - Quantum mechanical treatment of nonrigid molecules and Van der Waals complexes
J. W. I. van Bladel , Ph. D. thesis (University of Nijmegen, 1992) - Dynamics of (ionic) molecular crystals and adsorbed layers
W. B. J. M. Janssen , Ph. D. thesis (University of Nijmegen, 1992) - NWO report on the application of the discrete variable representation to the S-matrix version of the kohn variational principle for quantum reactive scattering calculations
Gerrit C. Groenenboom (Nijmegen, 1992) [pdf] - Lecture: Molecular rotations and vibrations
Ad van der Avoird (Nijmegen, 1991) [pdf] - Dynamics of molecular crystals and adsorbed molecular layers
T. H. M. van den Berg , Ph. D. thesis (University of Nijmegen, 1991) - A study of the effects of intramolecular correlation on intermolecular interactions
W. Rijks , Ph. D. thesis (University of Nijmegen, 1989) - Theoretical approach to the optical, thermodynamic and magnetic properties of solid nitrogen and solid oxygen
A. P. J. Jansen , Ph. D. thesis (University of Nijmegen, 1987) - Rotation-Vibration States and Spectra of Molecular Dimers with Large Internal Motions
G. Brocks , Ph. D. thesis (University of Nijmegen, 1987) - Electron correlation and long range dispersion interactions in Van der Waals dimers
F. Visser , Ph. D. thesis (University of Nijmegen, 1985) - Cluster embedding and pseudopotentials in the Hartree-Fock-Slater-LCAO method
W. Ravenek , Ph. D. thesis (University of Nijmegen, 1984) - Magnetic spectra of the dimer O2 Ar
J. Mettes , Ph. D. thesis (University of Nijmegen, 1984) - Ab initio calculations of intermolecular forces and related properties
R. M. Berns , Ph. D. thesis (University of Nijmegen, 1981) - Hartree-Fock-Slater studies of bonding to transition metals: surfaces and complexes, chemisorption of acetylene
P. J. M. Geurts , Ph. D. thesis (University of Nijmegen, 1980) - Ab initio calculations of molecular multipoles, polarizabilities and Van der Waals interactions
F. Mulder , Ph. D. thesis (KU Nijmegen, 1978) - Molecular orbital studies of chemisorption. Hydrogen on nickel surfaces
D. J. M. Fassaert , Ph. D. thesis (KU Nijmegen, Nijmegen, 1976) - Intermolecular forces and the group theory of many-body systems
P. E. S. Wormer , Ph. D. thesis (University of Nijmegen, 1975) [pdf] [part II] - Identiteit
A. van der Avoird (University of Nijmegen, 1973) [pdf]
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