Theoretical model of copper Cu(I)/Cu(II) hydration. DFT and ab initio quantum chemical study
- 1 September 2004
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 683 (1-3) , 183-193
- https://doi.org/10.1016/j.theochem.2004.06.013
Abstract
No abstract availableThis publication has 62 references indexed in Scilit:
- FT-IR and FT-Raman study of selected pyridinephosphonocarboxylic acidsVibrational Spectroscopy, 2003
- Ab Initio Study of an H24O12 ZwitterionThe Journal of Physical Chemistry A, 2003
- Is the Bis-μ-Oxo Cu2(III,III) State an Intermediate in Tyrosinase?Journal of the American Chemical Society, 2001
- A comparison of copper(I) and silver(I) complexes of glycine, diglycine and triglycinePhysical Chemistry Chemical Physics, 2001
- Spectroscopic and Electronic Structural Studies of Blue Copper Model Complexes. 2. Comparison of Three- and Four-Coordinate Cu(II)−Thiolate Complexes and Fungal LaccaseJournal of the American Chemical Society, 2000
- Theoretical Studies of Metal Ion Selectivity. 1. DFT Calculations of Interaction Energies of Amino Acid Side Chains with Selected Transition Metal Ions (Co2+, Ni2+, Cu2+, Zn2+, Cd2+, and Hg2+)Journal of the American Chemical Society, 2000
- A Structural Model of the Type 1 Copper Protein Active Site: N2S(thiolate)S(thioether) Ligation in a Cu(II) ComplexJournal of the American Chemical Society, 2000
- Interactions in solution of calcium(II) and copper(II) with nucleoside monophosphates: a calorimetric studyJBIC Journal of Biological Inorganic Chemistry, 2000
- Ultrafast Pump−Probe Studies of Excited-State Charge-Transfer Dynamics in Blue Copper ProteinsThe Journal of Physical Chemistry A, 1998
- Mode of coordination and stability of Cu(II) and Zn(II) complexes with adenosine, deoxyadenosine, cytidine and deoxycytidineMonatshefte für Chemie / Chemical Monthly, 1995