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Protonation of the beta-lactam nitrogen is the trigger event in the catalytic action of class A beta-lactamases.
Proc Natl Acad Sci U S A. 2000 Mar 28;97(7):3160-5. doi: 10.1073/pnas.97.7.3160.
Proc Natl Acad Sci U S A. 2000.
PMID: 10716727
Free PMC article.
DFT-based studies on the Jahn-Teller effect in 3d hexacyanometalates with orbitally degenerate ground states.
Atanasov M, Comba P, Daul CA, Hauser A.
Atanasov M, et al.
J Phys Chem A. 2007 Sep 20;111(37):9145-63. doi: 10.1021/jp0731912. Epub 2007 Aug 24.
J Phys Chem A. 2007.
PMID: 17718456
Free article.
The topology of the ground-state potential energy surface of M(CN)(6) with orbitally degenerate (2)T(2g) (M = Ti(III) (t(2g)(1)), Fe(III) and Mn(II) (both low-spin t(2g)(5))) and (3)T(1g) ground states (M = V(III) (t(2g)(2)), Mn(III) and Cr(II) (both low-spin t(2g)(4))) has been …
The topology of the ground-state potential energy surface of M(CN)(6) with orbitally degenerate (2)T(2g) (M = Ti(III) (t(2g)(1)), Fe(III) an …
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Structure and stability of arthropodan hemocyanin Limulus polyphemus.
Dolashka-Angelova P, Dolashki A, Stevanovic S, Hristova R, Atanasov B, Nikolov P, Voelter W.
Dolashka-Angelova P, et al.
Spectrochim Acta A Mol Biomol Spectrosc. 2005 Apr;61(6):1207-17. doi: 10.1016/j.saa.2004.06.043.
Spectrochim Acta A Mol Biomol Spectrosc. 2005.
PMID: 15741123
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Predicting reactivities of organic molecules. Theoretical and experimental studies on the aminolysis of phenyl acetates.
Galabov B, Ilieva S, Hadjieva B, Atanasov Y, Schaefer HF 3rd.
Galabov B, et al.
J Phys Chem A. 2008 Jul 24;112(29):6700-7. doi: 10.1021/jp8007514. Epub 2008 Jun 26.
J Phys Chem A. 2008.
PMID: 18578479
The barrier heights for the rate-determining stage of the aminolysis of 16 phenyl acetate derivatives were predicted by employing density functional theory at the B3LYP/6-31+G(d,p) level. Experimental kinetic studies were carried out for the n-butylaminolysis of seven p-su …
The barrier heights for the rate-determining stage of the aminolysis of 16 phenyl acetate derivatives were predicted by employing density fu …
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