Single molecule kinetics. I. Theoretical analysis of indicators

2004 ◽  
Vol 121 (13) ◽  
pp. 6361-6372 ◽  
Author(s):  
James B. Witkoskie ◽  
Jianshu Cao
Keyword(s):  
Theoretical Analysis ◽  
Single Molecule

Control of the Barrier in Cyanide Based Single Molecule Magnets Mn(III)2Mn(II)3:  Theoretical Analysis

2005 ◽  
Vol 1 (4) ◽  
pp. 668-673 ◽  
Author(s):  
Boris S. Tsukerblat ◽  
Andrew V. Palii ◽  
Sergei M. Ostrovsky ◽  
Sergei V. Kunitsky ◽  
Sophia I. Klokishner ◽  
...  
Keyword(s):  
Theoretical Analysis ◽  
Single Molecule ◽  
Single Molecule Magnets

scholarly journals A theoretical analysis of single molecule protein sequencing via weak binding spectra

PLoS ONE ◽  
2019 ◽  
Vol 14 (3) ◽  
pp. e0212868 ◽  
Author(s):  
Samuel G. Rodriques ◽  
Adam H. Marblestone ◽  
Edward S. Boyden
Keyword(s):  
Theoretical Analysis ◽  
Single Molecule ◽  
Protein Sequencing ◽  
Weak Binding ◽  
Binding Spectra

scholarly journals Theoretical Analysis of Single-Molecule Force Spectroscopy Experiments: Heterogeneity of Chemical Bonds

2006 ◽  
Vol 90 (11) ◽  
pp. 3851-3864 ◽  
Author(s):  
M. Raible ◽  
M. Evstigneev ◽  
F.W. Bartels ◽  
R. Eckel ◽  
M. Nguyen-Duong ◽  
...  
Keyword(s):  
Theoretical Analysis ◽  
Single Molecule ◽  
Force Spectroscopy ◽  
Chemical Bonds ◽  
Single Molecule Force Spectroscopy

scholarly journals A Series of Novel Pentagonal-Bipyramidal Erbium(III) Complexes with Acyclic Chelating N3O2 Schiff-Base Ligands: Synthesis, Structure, and Magnetism

Molecules ◽  
2021 ◽  
Vol 26 (22) ◽  
pp. 6908
Author(s):  
Tamara A. Bazhenova ◽  
Vyacheslav A. Kopotkov ◽  
Denis V. Korchagin ◽  
Yuriy V. Manakin ◽  
Leokadiya V. Zorina ◽  
...  
Keyword(s):  
Experimental Study ◽  
Magnetic Properties ◽  
Schiff Base ◽  
Theoretical Analysis ◽  
Single Molecule ◽  
Theoretical Study ◽  
Magnetic Measurements ◽  
Single Molecule Magnets ◽  
Schiff Base Ligands ◽  
Axial Ligands

A series of six seven-coordinate pentagonal-bipyramidal (PBP) erbium complexes, with acyclic pentadentate [N3O2] Schiff-base ligands, 2,6-diacetylpyridine bis-(4-methoxybenzoylhydrazone) [H2DAPMBH], or 2,6-diacethylpyridine bis(salicylhydrazone) [H4DAPS], and various apical ligands in different charge states were synthesized: [Er(DAPMBH)(C2H5OH)Cl] (1); [Er(DAPMBH)(H2O)Cl]·2C2H5OH (2); [Er(DAPMBH)(CH3OH)Cl] (3); [Er(DAPMBH)(CH3OH)(N3)] (4); [(Et3H)N]+[Er(H2DAPS)Cl2]− (5); and [(Et3H)N]+[Y0.95Er0.05(H2DAPS)Cl2]− (6). The physicochemical properties, crystal structures, and the DC and AC magnetic properties of 1–6 were studied. The AC magnetic measurements revealed that most of Compounds 1–6 are field-induced single-molecule magnets, with estimated magnetization energy barriers, Ueff ≈ 16–28 K. The experimental study of the magnetic properties was complemented by theoretical analysis based on ab initio and crystal field calculations. An experimental and theoretical study of the magnetism of 1–6 shows the subtle impact of the type and charge state of the axial ligands on the SMM properties of these complexes.

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