Nguyen, H.M.T.; Peeters, J.; Zeegers-Huyskens, T.
Theoretical study of the blue-shifting hydrogen bonds between CH2X2 and CHX3 (X=F, Cl, Br) and hydrogen peroxide.
Journal of Molecular Structure (2006), 792-793 16-22

  Wysokinski, R.; Bienko, D.C.; Michalska, D.; Zeegers-Huyskens, Therese. Theoretical study of the interaction between cytosine and hydrogen peroxide.
Chemical Physics (2005), 315(1-2), 17-26

  Jena, N.R.; Mishra, P.C.
Mechanisms of Formation of 8-Oxoguanine Due To Reactions of One and Two OH.bul. Radicals and the H2O2 Molecule with Guanine: A Quantum Computational Study.
Journal of Physical Chemistry B (2005), 109(29), 14205-14218

  McConnell, T.L.; Wheaton, C.A.; Hunter, K.C.; Wetmore, S.D.
Effects of Hydrogen Bonding on the Acidity of Adenine, Guanine, and Their 8-Oxo Derivatives.
Journal of Physical Chemistry A (2005), 109(28), 6351-6362

  Kulkarni, A.D.; Pathak, R.K.; Bartolotti, L.J.
Structures, Energetics, and Vibrational Spectra of H2O2···(H2O)n, n = 1-6 Clusters: Ab Initio Quantum Chemical Investigations.
Journal of Physical Chemistry A (2005), 109(20), 4583-4590

  Tian SX
Quantum chemistry studies of glycine-H2O2 complexes
J PHYS CHEM B 108, 20388-20396, (2004).

  Nguyen HMT, Nguyen MT, Peeters J, Zeegers-Huyskens T
Theoretical study of the interaction between methyl fluoride, methyl chloride, and methyl bromide with hydrogen peroxide
J PHYS CHEM A 108, 11101-11108, (2004).

  Wysokinski R, Michalska D, Bienko DC, Zeegers-Huyskens TS
Theoretical study of the interaction between uracil and hydrogen peroxide
J PHYS CHEM A 107, 8730-8736, (2003).

  Li Q, Lu H, Wang HY, Zhu ZH
The theoretical calculation of potential energy functions and thermodynamic functions for the ground state of PuN
CHIN J CHEM PHYS 16, 99-102, (2003).

  Li Q, Xu CG, Wang HY, Zhu ZH
Thermodynamic stability of PuH2(g) molecules
ACTA PHYS-CHIM SIN 18, 952-955, (2002).

  Popelier, P.L.A.; Smith, P.J.
Quantum topological atoms.
Chemical Modelling 2 391-448 (2002).

  Wilson, S.
Many-body perturbation theory and its application to the molecular electronic structure problem.
Chemical Modelling (2002), 2 329-390

  Molina JM, Dobado JA, Daza MC, Villaveces JL
Structure and bonding of weak hydrogen peroxide complexes
J MOL STRUC-THEOCHEM 580, 117-126, (2002).

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Recent advances in computing heteroatom-rich five- and six-membered ring systems
Advances in Heterocyclic Chemistry 81, 1-105, (2001).

  Lundell-J Jolkkonen-S Khriachtchev-L Pettersson-M Rasanen-M
Matrix-Isolation and Ab-Initio Study of the Hydrogen-Bonded H2O2-CO Complex
Chemistry-A European Journal 7, 1670, (2001).

  Daza MC, Dobado JA, Molina JM, Villaveces JL
Structure and bonding of H2O2 center dot center dot center dot X complexes with (X = NO+, CN-, HCN, HNC, CO)
PHYS CHEM CHEM PHYS 2 4089-4094, (2000).

  Dobado JA, Grigoleit S, Molina JM
Theoretical characterization of 5-oxo, 7-oxo and 5-oxo-7-amino[1,2,4]triazolo[1,5-a]pyrimidines
J CHEM SOC PERK T 2 1675-1680, (2000).