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References: M. Nonella

References


Schmitz M., Tavan P., and Nonella M.
Vibrational analysis of carbonyl modes in different stages of light-induced cyclopyrimidine dimer repair reactions.
Chem. Phys. Lett. 349, 2001, 342-348.
Abstract:


Nonella, M.
Electrostatic protein-chromophore interactions promote the all-trans 13-cis isomerization of the protonated retinal Schiff base in Bacteriorhodopsin: An ab initio CASSCF/MRCI study.
J. Phys. Chem. 104B, 2000, 11379-11388.
Abstract:


Zinth, W., Sieg, A., Huppmann, P., Blankenhorn, T., Oesterhelt, D., and Nonella, M.
Femtosecond spectroscopy and model calculations for an understanding of the primary reaction in bacteriorhodopsin
Ultrafast Phenomena XII, Springer Series in Chem. Physics 66, Eds. Elsässer, T,. Mukamel, S., Murnane, M., and Scherer, N.F. 2000, 680-682.


Nonella, M. and Suter, H.U.
Formation of phenolate anion-counter ion complexes can explain the vibrational properties of the phenolate anion in solution
J. Phys. Chem. 103A, 1999, 7867-7871.
Abstract:


Nonella, M.
A Generalized Resonance Model for Substituted 1,4-Benzoquinones
J. Phys. Chem. 103A, 1999, 7069-7075.
Abstract:


Nonella, M., Boullais, C., Mioskowski, C., Nabedryk, E., and Breton,J.
Vibrational spectrum and torsional potential of 2-methoxy-3-methyl-1,4-benzoquinone
J. Phys. Chem. 103B, 1999, 6363-6370.
Abstract:


Suter, H.U. and Nonella, M.
A Quantum Chemical Investigation of the C-O Bond Length and Stretching Mode of the Phenolate Anion
J. Phys. Chem. 102A, 1998, 10128-10133.
Abstract:


Nonella, M.
A quantum chemical investigation of structures, vibrational spectra and electron affinities of the radicals of quinone model compounds
Photosynthesis Research 55, 1998, 253-259.
Abstract:


Boullais, C., Nabedryk, E., Burie, J.-R., Nonella, M., Mioskowski, C., and Breton, J.
Site-specific isotope labeling demonstrates a large mesomeric resonance effect of the methoxy groups on the carbonyl frequency of ubiquinones
Photosynthesis Research 55, 1998, 247-252.
Abstract:


Nonella, M.
A Density Functional Investigation of Model Molecules for Ubisemiquinone Radical Anions
J. Phys. Chem. 102B, 1998, 4217-4225.
Abstract:


Nonella, M.
A reinvestigation of the n2 and n3 modes of 1,4-benzoquinone on the basis of a quantum mechanical harmonic force field
Chem. Phys. Lett. 280, 1997, 91-94.
Abstract:


Burie, J.-R., Boullais, C., Nonella, M., Mioskowski, C., Nabedryk, E. and Breton, J.
Importance of the Conformation of Methoxy Groups on the Vibrational and Electrochemical Properties of Ubiquinones
J. Phys. Chem. 101B, 1997, 6607-6617.
Abstract:


Suter, H.U. and Nonella, M.
Quantum Chemical Investigation of Structures, Rotational Barriers, and Vibrational Spectra of the Rotamers of Ethyl Nitrite (CH3CH2ONO)
J. Phys. Chem. 101A, 1997, 5580-5586.
Abstract:


Nonella, M.
Effect of Charge Distribution on the Electrostatic Chromophore-Protein Interactions in Bacteriorhodopsin
J. Comp. Chem. 18, 1997, 677-693.
Abstract:


Nonella, M.
Structures and Vibrational Spectra of p-Benzoquinone in Different Oxidation and Protonation States: A Density Functional Study
J. Phys. Chem. 101B, 1997, 1235-1246.
Abstract:


Nonella, M.
Density Functional Investigation of Structures and Harmonic Force Fields of Methyl-Substituted p-Benzoquinones
J. Phys. Chem. 100, 1996, 20148-20155.
Abstract:


Dobado, J.A. and Nonella, M.
MRCI Calculations of the Ground and Excited State Potential Energy Surfaces of the 2,4-Pentadien-1-iminium Cation.
J. Phys. Chem. 100, 1996, 18282-18288.
Abstract:


Cobo, J., Melguizo, M., Nogueras, M., Sanchez, A., Dobado, J.A. and Nonella, M.
A Theoretical Investigation on the Reactivity of 6-amino-3-methylpyrimidin-4(3H)-ones Towards DMAD, Tandem Diels-Alder Retro Diels-Alder (DA/RDA) Reaction.
Tetrahedron 52, 1996, 13721-13732.
Abstract:


Nonella, M. and Braendli, C.
Density Functional Investigation of Methoxy-Substituted p-Benzoquinones: Conformational Analysis and Harmonic Force Fields of 2-Methoxy- and 2,3-Dimethoxy-1,4-benzoquinone.
J. Phys. Chem. 100, 1996, 14549-14559.
Abstract:

Nonella, M.
Structures and harmonic force fields of 1,4-naphthoquinone and naphthalene: a density functional study.
J. Molec. Struct. (THEOCHEM) 362, 7-21, (1996)
Abstract:

Nonella, M. and Tavan, P.
An unscaled quantum mechanical harmonic force field for p-benzoquinone.
Chem. Phys. 199, 19-32, (1995)
Abstract:


Grubmüller, H., Nonella, M., Hoffmann T., Tavan, P., Döhring K. and Oesterhelt D.
Proteine: Einblicke in ihre Funktionsweise
Spektrum Videothek (1994)


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Last update: 08-JAN-02 / MN