-
1
-
-
74849103513
-
Radicals in enzymatic catalysis
-
J. Hioe H. Zipse Radicals in enzymatic catalysis Faraday Discuss. 2010 145 301 313
-
(2010)
Faraday Discuss.
, vol.145
, pp. 301-313
-
-
Hioe, J.1
Zipse, H.2
-
2
-
-
77955106712
-
Radical stability and its role in synthesis and catalysis
-
J. Hioe H. Zipse Radical stability and its role in synthesis and catalysis Org. Biomol. Chem. 2010 8 3609 3617
-
(2010)
Org. Biomol. Chem.
, vol.8
, pp. 3609-3617
-
-
Hioe, J.1
Zipse, H.2
-
3
-
-
79952607624
-
The Stability of Cα Peptide Radicals-why Glycyl Radical Enzymes?
-
J. Hioe G. Savasci H. Brandt H. Zipse The Stability of Cα Peptide Radicals-why Glycyl Radical Enzymes? Chem.-Eur. J. 2011 17 3781 3789
-
(2011)
Chem.-Eur. J.
, vol.17
, pp. 3781-3789
-
-
Hioe, J.1
Savasci, G.2
Brandt, H.3
Zipse, H.4
-
4
-
-
84870883992
-
Hydrogen Transfer in SAM-Mediated Enzymatic Radical Reactions
-
J. Hioe H. Zipse Hydrogen Transfer in SAM-Mediated Enzymatic Radical Reactions Chem.-Eur. J. 2012 18 16463 16472
-
(2012)
Chem.-Eur. J.
, vol.18
, pp. 16463-16472
-
-
Hioe, J.1
Zipse, H.2
-
5
-
-
0028863703
-
Radicals and Ions of Glycine: An ab Initio Study of the Structures and Gas-Phase Thermochemistry
-
D. Yu A. Rauk D. A. Armstrong Radicals and Ions of Glycine: An ab Initio Study of the Structures and Gas-Phase Thermochemistry J. Am. Chem. Soc. 1995 117 1789 1796
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 1789-1796
-
-
Yu, D.1
Rauk, A.2
Armstrong, D.A.3
-
6
-
-
0031042252
-
Toward Site Specificity of Oxidative Damage in Proteins: C-H and C-C Bond Dissociation Energies and Reduction Potentials of the Radicals of Alanine, Serine, and Threonine Residues: An ab Initio Study
-
D. A. Armstrong D. Yu A. Rauk Toward Site Specificity of Oxidative Damage in Proteins: C-H and C-C Bond Dissociation Energies and Reduction Potentials of the Radicals of Alanine, Serine, and Threonine Residues: An ab Initio Study J. Am. Chem. Soc. 1997 119 208 217
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 208-217
-
-
Armstrong, D.A.1
Yu, D.2
Rauk, A.3
-
7
-
-
84856901264
-
Dissociation energies of X-H bonds in amino acids
-
B. N. Moore R. R. Julian Dissociation energies of X-H bonds in amino acids Phys. Chem. Chem. Phys. 2012 14 3148 3154
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 3148-3154
-
-
Moore, B.N.1
Julian, R.R.2
-
8
-
-
85042547097
-
Comprehensive Handbook of Chemical Bond Energies
-
Boca Raton
-
Y.-R. Luo, Comprehensive Handbook of Chemical Bond Energies, CRC Press, Boca Raton, 2007
-
(2007)
CRC Press
-
-
Luo, Y.-R.1
-
9
-
-
0000543185
-
Gaussian-3 theory using density functional geometries and zero-point energies
-
A. G. Baboul L. A. Curtiss P. C. Redfern K. Raghavachari Gaussian-3 theory using density functional geometries and zero-point energies J. Chem. Phys. 1999 110 7650 7657
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 7650-7657
-
-
Baboul, A.G.1
Curtiss, L.A.2
Redfern, P.C.3
Raghavachari, K.4
-
10
-
-
0037427252
-
Design of Radical-Resistant Amino Acid Residues: A Combined Theoretical and Experimental Investigation
-
A. K. Croft C. J. Easton L. Radom Design of Radical-Resistant Amino Acid Residues: A Combined Theoretical and Experimental Investigation J. Am. Chem. Soc. 2003 125 4119 4124
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 4119-4124
-
-
Croft, A.K.1
Easton, C.J.2
Radom, L.3
-
11
-
-
77956608160
-
G4-SP, G4(MP2)-SP, G4-sc, and G4(MP2)-sc: Modifications to G4 and G4(MP2) for the Treatment of Medium-Sized Radicals
-
B. Chan M. L. Coote L. Radom G4-SP, G4(MP2)-SP, G4-sc, and G4(MP2)-sc: Modifications to G4 and G4(MP2) for the Treatment of Medium-Sized Radicals J. Chem. Theory Comput. 2010 6 2647
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 2647
-
-
Chan, B.1
Coote, M.L.2
Radom, L.3
-
13
-
-
0037467060
-
αc-H Bonds in Model Peptides: Absolute Rate Constants and Effect of Amino Acid Structure
-
αC-H Bonds in Model Peptides: Absolute Rate Constants and Effect of Amino Acid Structure J. Am. Chem. Soc. 2003 125 2003 2043
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 2003-2043
-
-
Nauser, T.1
Schöneich, C.2
-
15
-
-
84858075551
-
N-H and N-Cl Homolytic Bond Dissociation Energies and Radical Stabilization Energies: An Assessment of Theoretical Procedures Through Comparison with Benchmark-Quality W2w Data
-
R. J. O'Reilly A. Karton L. Radom N-H and N-Cl Homolytic Bond Dissociation Energies and Radical Stabilization Energies: An Assessment of Theoretical Procedures Through Comparison With Benchmark-Quality W2w Data Int. J. Quantum Chem. 2012 112 1862 1878
-
(2012)
Int. J. Quantum Chem.
, vol.112
, pp. 1862-1878
-
-
O'Reilly, R.J.1
Karton, A.2
Radom, L.3
-
17
-
-
0001750657
-
Towards standard methods for benchmark quality ab initio thermochemistry-W1 and W2 theory
-
J. M. L. Martin G. de Oliveira Towards standard methods for benchmark quality ab initio thermochemistry-W1 and W2 theory J. Chem. Phys. 1999 111 1843 1856
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 1843-1856
-
-
Martin, J.M.L.1
De Oliveira, G.2
-
18
-
-
0035826441
-
Assessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation, and proton affinities
-
S. Parthiban J. M. L. Martin Assessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation, and proton affinities J. Chem. Phys. 2001 114 6014 6029
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 6014-6029
-
-
Parthiban, S.1
Martin, J.M.L.2
-
19
-
-
0037444624
-
G3-RAD and G3X-RAD: Modified Gaussian-3 (G3) and Gaussian-3X (G3X) procedures for radical thermochemistry
-
D. J. Henry M. B. Sullivan L. Radom G3-RAD and G3X-RAD: Modified Gaussian-3 (G3) and Gaussian-3X (G3X) procedures for radical thermochemistry J. Chem. Phys. 2003 118 4849
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 4849
-
-
Henry, D.J.1
Sullivan, M.B.2
Radom, L.3
|