Our OH+NO Science paper online!

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 Dust

The group

Staff

Name	Position	Room number	Phone number +31-(0)24-36
Prof. 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	HG03.044	53037
Prof. dr. F. Matthias Bickelhaupt	special appointment

Postdocs

Name	Room number	Phone number +31-(0)24-36
Dr. Alexander Atamas	HG03.609	52596
Dr. Peter Grancic	HG03.609	52596

PhD Students

Name	Room number	Phone number +31-(0)24-36
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	52596
MSc Eduardo M. Penteado	HG03.044	53037
MSc Jolijn Onvlee	HG00.725	53280
Tijs Karman (starts June 15, 2013)	HG03.059	52988

Master Students

Name	Room number	Phone number +31-(0)24-36
Simon Gückel	HG03.344	52324
Rik Sprenkels	HG03.344	52324

Bachelor Students

Name	Room number	Phone number +31-(0)24-36
Mark Verleg
Xander de Vries	HG03.609	52596
Boy Lankhaar	HG03.344	52324

Guest Researchers

Name	Position	Room number	Phone number +31-(0)24-36
MSc Thanja Lamberts	PhD student	HG03.609	52596
Michał Nowacki	Erasmus student	HG03.044	53037

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

Constructed by the Theoretical Chemistry Literature Database

1. Three-dimensional ab initio potential energy surface for H-CO( X ²A')
   Lei Song, Ad van der Avoird, and Gerrit C. Groenenboom
   J. Phys. Chem. A, in print, x (2013)  [doi]
2. Unraveling the internal dynamics of the benzene dimer: a combined theoretical and microwave spectroscopy study
   M. Schnell, U. Erlekam, P. R. Bunker, G. von Helden, J.-U. Grabow, G. Meijer, and A. van der Avoird
   Phys. Chem. Chem. Phys., , in press (2013)  [doi]
3. Structure of the benzene dimer--governed by dynamics
   M. Schnell, U. Erlekam, P. R. Bunker, G. von Helden, J.-U. Grabow, G. Meijer, and A. van der Avoird
   Angew. Chem. Int. Ed., 52, online (2013)  [doi]
4. Die Struktur des Benzoldimers -- die Dynamik gewinnt
   M. Schnell, U. Erlekam, P. R. Bunker, G. von Helden, J.-U. Grabow, G. Meijer, and A. van der Avoird
   Angew. Chem., 52, online (2013)  [doi]
5. Water maken bij 260 graden onder nul
   Harold Linnartz, Herma Cuppen, Thanja Lamberts, and Sergio Ioppolo
   Persbericht, Mei, 14 (2013)  [http://www.astronomie.nl/#!/actueel/nieuws/_detail/gli/water-maken-bij-260-graden-onder-nul]  [pdf]
6. Quantum reactive scattering of ultracold NH(X,³Σ^-) radicals in a magnetic trap
   Liesbeth M. C. Janssen, Ad van der Avoird, and Gerrit C. Groenenboom
   Phys. Rev. Lett., 110, 063201 (2013)  [doi]  [arXiv:arXiv:1301.1931]  [pdf]
7. Role of resonance-enhanced multiphoton excitation in high-harmonic generation of N₂: A time-dependent density-functional-theory study
   Xi Chu and Gerrit C. Groenenboom
   Phys. Rev. A, 87, 013434 (2013)  [doi]  [pdf]
8. Monte Carlo Calculations of the Free Energy of Binary SII Hydrogen Clathrate Hydrates for Identifying Efficient Promoter Molecules
   A. A. Atamas, H. M. Cuppen, M. V. Koudriachova, and S. W. de Leeuw
   J. Phys. Chem. B, 117, 1155 (2013)  [doi]  [arXiv:http://pubs.acs.org/doi/pdf/10.1021/jp306585t]  [http://pubs.acs.org/doi/abs/10.1021/jp306585t]
9. Overtone vibrational spectroscopy in H₂-H₂O complexes: A combined high level theoretical ab initio, dynamical and experimental study
   M. P. Ziemkiewicz, C. Pluetzer, D. J. Nesbitt, Y. Scribano, A. Faure, and A. van der Avoird
   J. Chem. Phys., 137, 084301 (2012)
10. 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., 399, 28 (2012)  [doi]
11. Spectra of water dimer from a new ab initio potential with flexible monomers
    C. Leforestier, K. Szalewicz, and A. van der Avoird
    J. Chem. Phys., 137, 014305 (2012)  [doi]  [pdf]  ©
12. Quantum-state resolved bi-molecular collisions of velocity-controlled OH with NO radicals
    Moritz Kirste, Xingan Wang, H. Christian Schewe, Gerard Meijer, Kopin Liu, Ad van der Avoird, Liesbeth M. C. Janssen, Koos B. Gubbels, Gerrit C. Groenenboom, and Sebastiaan Y. T. van de Meerakker
    Science, 338, 1060 (2012)  [doi]  [arXiv:arXiv:1210.5947]  [http://www.sciencemag.org/content/338/6110/1060]  [pdf]
13. Communication: Magnetic dipole transitions in the OH A ²Σ⁺ ← X ²Π system
    Moritz Kirste, Xingan Wang, Gerard Meijer, Koos B. Gubbels, Ad van der Avoird, Gerrit C. Groenenboom, and Sebastiaan Y. T. van de Meerakker
    J. Chem. Phys., 137, 101102 (2012)  [pdf]  ©
14. Long-timescale simulations of diffusion in molecular solids
    L. J. Karssemeijer, A. Pedersen, H. Jonsson, and H. M. Cuppen
    Phys. Chem. Chem. Phys., 14, 10844 (2012)  [doi]  [http://dx.doi.org/10.1039/C2CP41634D]
15. Cold collision dynamics of NH radicals
    Liesbeth M. C. Janssen , Ph. D. thesis (Radboud University Nijmegen, 2012)  [pdf]
16. 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., 136, 074301 (2012)  [doi]  [pdf]  ©
17. 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
    J. Chem. Phys., 136, 144308 (2012)  [doi]  [pdf]  ©
18. Botsende moleculen
    Gerrit C. Groenenboom and Bas van de Meerakker
    Radio 1, Labyrint, VPRO, 20:00-21:00, november, 25 (2012)  [http://download.omroep.nl/portal/radiomanager/archive/radio1/2012/11/25/36667-radio_1_labyrint_radio_25_11_2012.mp3]
19. Efficient surface formation route of interstellar hydroxylamine through NO hydrogenation. II. The multilayer regime in interstellar relevant ices
    G. Fedoseev, S. Ioppolo, T. Lamberts, J. F. Zhen, H. M. Cuppen, and H. Linnartz
    J. Chem. Phys., 137, 054714 (2012)  [doi]  [adsabs]
20. Laboratory H₂O:CO₂ ice desorption: entrapment and its parameterization with an extended three-phase model
    E. C. Fayolle, K. I. Oberg, H. M. Cuppen, R. Visser, and H. Linnartz
    in: EAS Publications Series, volume 58 of EAS Publications Series, 327-331 (2012)  [doi]  [adsabs]
21. NO Ice Hydrogenation: A Solid Pathway to NH₂OH Formation in Space
    E. Congiu, G. Fedoseev, S. Ioppolo, F. Dulieu, H. Chaabouni, S. Baouche, J. L. Lemaire, C. Laffon, P. Parent, T. Lamberts, H. M. Cuppen, and H. Linnartz
    Astrophys. J. l, 750, L12 (2012)  [doi]  [adsabs]
22. Time-dependent density-functional-theory calculation of high-order harmonic generation of H₂
    Xi Chu and Gerrit C. Groenenboom
    Phys. Rev. A, 85, 053402 (2012)  [doi]  [pdf]
23. 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 Chem., 3, 28 (2011)  [doi]  [pdf]
24. 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]  ©
25. 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]
26. 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)
27. 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]
28. 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]
29. Solid State Pathways towards Molecular Complexity in Space
    H. Linnartz, J.-B. Bossa, J. Bouwman, H. M. Cuppen, S. H. Cuylle, E. F. van Dishoeck, E. C. Fayolle, G. Fedoseev, G. W. Fuchs, S. Ioppolo, K. Isokoski, T. Lamberts, K. I. Oberg, C. Romanzin, E. Tenenbaum, and J. Zhen
    in: IAU Symposium, volume 280 of IAU Symposium, 390-404 (2011)  [doi]  [adsabs]
30. 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]  ©
31. 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]
32. 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]
33. 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]
34. 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]
35. 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]
36. 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]
37. 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]
38. 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., 417, 2809 (2011)  [doi]  [adsabs]
39. Modelling of surface chemistry on an inhomogeneous interstellar grain
    H. M. Cuppen and R. T. Garrod
    Astron. Astrophys., 529, A151 (2011)  [doi]  [adsabs]
40. 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]
41. 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]
42. 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]  ©
43. 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]
44. Angular momentum polarisation in the O(¹D) products of O₂ photolysis via the B³Σ_u^- 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]
45. 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]
46. 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]
47. 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]  [part II]
48. 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]
49. 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]
50. 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]
51. 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]  ©
52. 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]
53. 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]
54. 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]
55. 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]
56. 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]
57. 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]
58. Erratum: Spin-orbit relaxation of Cl(²P_1/2) and F(²P_1/2) in a gas of H₂
    Erik Abrahamsson, Gerrit C. Groenenboom, and Roman V. Krems
    J. Chem. Phys., 133, 109902 (2010)  [doi]  [pdf]  ©
59. Lecture: Molecular rotations and vibrations
    Ad van der Avoird (Nijmegen, 1991)  [pdf]

Constructed by the Theoretical Chemistry Literature Database

1. Three-dimensional potentials of the X²Π state of the OH-He complex
   Dick Tanis , Masters thesis (Theoretical Chemistry, IMM, Radboud University Nijmegen, 2012)  [pdf]
2. Cold collision dynamics of NH radicals
   Liesbeth M. C. Janssen , Ph. D. thesis (Radboud University Nijmegen, 2012)  [pdf]
3. The photodissociation of ClO
   Marloes A. van Beek , Masters thesis (Theoretical Chemistry, IMM, Radboud University Nijmegen, 2011)  [pdf]
4. Photodissociation of OH⁺ and H₂O⁺
   Jolijn Onvlee , Masters thesis (Molecular and Laser Physics and Theoretical Chemistry, IMM, Radboud University Nijmegen, 2011)  [pdf]
5. Photoinduced Dynamics in OH, H₂, and N₂O
   Mark P. J. van der Loo , Ph. D. thesis (Radboud University Nijmegen, 2008)  [pdf]  [pdf with hyperlinks]
6. A fluorescence spectrum of molecular oxygen
   H. Simeon Nieman (Radboud University Nijmegen, 2008)  [pdf]
7. The potential energy surfaces of Ga-HCN
   Vivike J. F. Lapoutre , Masters thesis (Theoretical Chemistry, IMM, Radboud University Nijmegen, 2008)  [pdf]
8. Spectroscopy and photodissociation of ClO
   Liesbeth M. C. Janssen (Radboud University Nijmegen, 2008)  [pdf]
9. Reduced dimensionality quantum reaction dynamics of OH + CH₄ → H₂O + CH₃
   Liesbeth M. C. Janssen (University of Oxford and Radboud University Nijmegen, 2008)  [pdf]
10. Theoretical study of open-shell van der Waals complexes
    Anna V. Fishchuk , Ph. D. thesis (Radboud University Nijmegen, 2008)  [pdf]
11. Nuclear motion of Van der Waals and hydrogen bonded systems
    G. W. M. Vissers , Ph. D. thesis (University of Nijmegen, 2005)  [pdf]
12. Introduction to time-independent scattering theory
    Mark P. J. van der Loo and Gerrit C. Groenenboom (Nijmegen, 2005)  [pdf]
13. Lecture: Quantum electrodynamics: one- and two-photon processes
    Gerrit C. Groenenboom (Nijmegen, 2005)  [pdf]
14. Dynamics of open-shell van der Waals complexes
    W. B. Zeimen , Ph. D. thesis (University of Nijmegen, 2004)  [pdf]
15. Lecture: Introduction to time-independent scattering theory
    Gerrit C. Groenenboom (Nijmegen, 2004)  [pdf]
16. 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]
17. Lecture: Discrete variable representations
    Gerrit C. Groenenboom (Nijmegen, 2001)  [pdf]
18. Lecture: Angular momentum theory
    Gerrit C. Groenenboom (Nijmegen, 1999)  [pdf]
19. Quantum mechanical calculations on weakly interacting complexes
    T. G. A. Heijmen , Ph. D. thesis (University of Nijmegen, 1998)
20. Computational studies of dynamical processes in weakly interacting atom-molecule complexes
    G. C. M. van der Sanden , Ph. D. thesis (University of Nijmegen, 1996)
21. The vibrational-rotational-tunneling dynamics of Van der Waals and hydrogen bonded complexes
    E. H. T. Olthof , Ph. D. thesis (University of Nijmegen, 1996)
22. Quasiclassical and semiclassical calculations on reactions with oriented molecules
    A. J. H. M. Meijer , Ph. D. thesis (University of Nijmegen, 1996)  [pdf]
23. Inleiding verstrooiingstheorie
    J. G. Snijders (Groningen, 1995)  [pdf]
24. The calculation of correlated frequency dependent polarizabilities and Van der Waals coefficients
    H. Hettema , Ph. D. thesis (University of Nijmegen, 1993)
25. Lecture: Sparse matrices in quantum chemistry
    Gerrit C. Groenenboom and Guillaume S. F. Dhont (Nijmegen, 1993)  [pdf]
26. Quantum mechanical treatment of nonrigid molecules and Van der Waals complexes
    J. W. I. van Bladel , Ph. D. thesis (University of Nijmegen, 1992)
27. Dynamics of (ionic) molecular crystals and adsorbed layers
    W. B. J. M. Janssen , Ph. D. thesis (University of Nijmegen, 1992)
28. 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]
29. Lecture: Molecular rotations and vibrations
    Ad van der Avoird (Nijmegen, 1991)  [pdf]
30. Dynamics of molecular crystals and adsorbed molecular layers
    T. H. M. van den Berg , Ph. D. thesis (University of Nijmegen, 1991)
31. Lecture: Moleculaire Quantummechanica
    Paul E. S. Wormer and Ad van der Avoird (Nijmegen, 1990)  [pdf]
32. A study of the effects of intramolecular correlation on intermolecular interactions
    W. Rijks , Ph. D. thesis (University of Nijmegen, 1989)
33. 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)
34. Rotation-Vibration States and Spectra of Molecular Dimers with Large Internal Motions
    G. Brocks , Ph. D. thesis (University of Nijmegen, 1987)
35. Electron correlation and long range dispersion interactions in Van der Waals dimers
    F. Visser , Ph. D. thesis (University of Nijmegen, 1985)
36. Cluster embedding and pseudopotentials in the Hartree-Fock-Slater-LCAO method
    W. Ravenek , Ph. D. thesis (University of Nijmegen, 1984)
37. Magnetic spectra of the dimer O₂ Ar
    J. Mettes , Ph. D. thesis (University of Nijmegen, 1984)
38. Ab initio calculations of intermolecular forces and related properties
    R. M. Berns , Ph. D. thesis (University of Nijmegen, 1981)
39. 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)
40. Ab initio calculations of molecular multipoles, polarizabilities and Van der Waals interactions
    F. Mulder , Ph. D. thesis (KU Nijmegen, 1978)
41. Molecular orbital studies of chemisorption. Hydrogen on nickel surfaces
    D. J. M. Fassaert , Ph. D. thesis (KU Nijmegen, Nijmegen, 1976)
42. Intermolecular forces and the group theory of many-body systems
    P. E. S. Wormer , Ph. D. thesis (University of Nijmegen, 1975)  [pdf]  [part II]
43. Identiteit
    A. van der Avoird (University of Nijmegen, 1973)  [pdf]