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References to this Article:
J.A. Dobado, J. Molina
"Ab initio Calculation of the Hydrogen Peroxide-Hydrogen
Halide Complexes (HOOH···HX, X = F, Cl)"
Journal of Physical Chemistry 98, 7819-7822,
(1994).
|
Wysokinski, R.; Bienko, D.C.; Michalska, D.; Zeegers-Huyskens, T.
Theoretical study of the interaction between
cytosine and hydrogen peroxide.
Chemical Physics 315, 17-26, (2005).
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).
Tian SX
Quantum chemistry studies of glycine-H2O2 complexes
J PHYS CHEM B 108 20388-20396, (2004).
Wysokinski R, Michalska D, Bienko DC, et al.
Theoretical study of the interaction between uracil and hydrogen peroxide
J PHYS CHEM A 107, 8730-8736, (2003).
Molina JM, Dobado JA, Daza MC, et al.
Structure and bonding of weak hydrogen peroxide complexes
J MOL STRUC-THEOCHEM 580, 117-126, (2002).
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, et al.
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, (2002).
Dobado JA, Molina J
Adenine-hydrogen peroxide system: DFT and MP2 investigation
J PHYS CHEM A 103, 4755-4761, (1999).
Daza MC, Dobado JA, Molina JM, et al.
Basis set superposition error-counterpoise corrected potential energy surfaces. Application to hydrogen peroxide center dot center dot center dot X (X=F-, Cl-, Br-, Li+, Na+) complexes
J CHEM PHYS 110, 11806-11813, (1999).
Gutierrez Oliva-S, Letelier-JR, Toro Labbe-A
"Energy, Chemical-Potential and Hardness Profiles for the Rotational
Isomerization of HOOH, HSOH and HSSH
Mol. Phys. 96, 61-70, (1999).
Dobado JA, Molina JM, Olea DP
Ab initio molecular study of hydrogen peroxide. Application of density functional methods
THEOCHEM-J MOL STRUC 433, 181-192, (1998).
Dobado JA, Molina J, Portal D
Theoretical study on the urea-hydrogen peroxide 1 : 1 complexes
J PHYS CHEM A 102, 778-784, (1998).
N.K. De and B.R. De.
"On the Mechanism of Gas-Phase Decomposition of Hydrogen-Peroxide -
A Theoretical-Study
Indian J. Chem. Sect. A 36, 210-212, (1997).
S. Arulmozhiraja and P. Kolandaivel.
"Examination of Some New Configurations of Methanol-Water Hetero Dimer System by Molecular-Orbital and Density-Functional Calculations
Theochem 366, 123-129, (1996).
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