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- 1995
-
A theoretical investigation of the two lowest potential energy surfaces for the reaction C(3P)+NO (2Π)
(1995)
In Chemical Physics Letters
234(4-6).
p.382-389
- Contribution to journal › Article
-
A CASPT2 study of the valence and lowest Rydberg electronic states of benzene and phenol.
(1995)
In Theoretica Chimica Acta
91.
p.91-108
- Contribution to journal › Article
-
A theoretical study of the electronic spectra of pyridine and phosphabenzene
(1995)
In Theoretica Chimica Acta
92.
p.67-81
- Contribution to journal › Article
-
Theoretical Study of the Electronic Spectra of Uracil and Thymine
(1995)
In Journal of the American Chemical Society
117(36).
p.9265-9273
- Contribution to journal › Article
- 1994
-
The coordination chemistry of the catalytic zinc ion in alcohol dehydrogenase studied by ab initio quantum chemical calculations
(1994)
In International Journal of Quantum Chemistry
52(5).
p.1229-1243
- Contribution to journal › Article
-
A simplified amino acid potential for use in structure predictions of proteins
(1994)
In Proteins: Structure, Function and Bioinformatics
18(3).
p.267-280
- Contribution to journal › Article
- 1993
-
Experimental and Theoretical Study of Phase Separation in Aqueous Solutions of Clouding Polymers and Carboxylic Acids
(1993)
In Macromolecules
26(17).
p.4478-4483
- Contribution to journal › Article
-
Ab initio calculation of inner sphere reorganization energies of inorganic redox couples
(1993)
In Journal of the American Chemical Society
115(7).
p.2898-2902
- Contribution to journal › Article
- 1992
-
Oscillations in coupled enzymic reactions at high concentration of enzyme
(1992)
In BBA - Protein Structure and Molecular Enzymology
1119(2).
p.118-122
- Contribution to journal › Article
- 1991
-
Identification of possible two‐reactant sources of oscillations in the Calvin photosynthesis cycle and ancillary pathways
(1991)
In European Journal of Biochemistry
198(3).
p.613-619
- Contribution to journal › Article