Julianna Olah
Cím
Hivatkozott rá
Hivatkozott rá
Év
Does compound I vary significantly between isoforms of cytochrome P450?
R Lonsdale, J Oláh, AJ Mulholland, JN Harvey
Journal of the American Chemical Society 133 (39), 15464-15474, 2011
1612011
Condensed Fukui functions derived from stockholder charges: assessment of their performance as local reactivity descriptors
J Oláh, C Van Alsenoy, AB Sannigrahi
The Journal of Physical Chemistry A 106 (15), 3885-3890, 2002
992002
Understanding the determinants of selectivity in drug metabolism through modeling of dextromethorphan oxidation by cytochrome P450
J Oláh, AJ Mulholland, JN Harvey
Proceedings of the National Academy of Sciences 108 (15), 6050-6055, 2011
842011
NO bonding to heme groups: DFT and correlated ab initio calculations
J Oláh, JN Harvey
The Journal of Physical Chemistry A 113 (26), 7338-7345, 2009
742009
Spin-philicity and spin-donicity of substituted carbenes, silylenes, germylenes, and stannylenes
J Oláh, F De Proft, T Veszprémi, P Geerlings
The Journal of Physical Chemistry A 108 (3), 490-499, 2004
632004
Hard− Soft Acid− Base Interactions of Silylenes and Germylenes
J Oláh, FD Proft, T Veszprémi, P Geerlings
The Journal of Physical Chemistry A 109 (8), 1608-1615, 2005
612005
Hydrogen bond network topology in liquid water and methanol: a graph theory approach
I Bakó, Á Bencsura, K Hermannson, S Bálint, T Grósz, V Chihaia, J Oláh
Physical Chemistry Chemical Physics 15 (36), 15163-15171, 2013
422013
Silylenes: A Unified Picture of Their Stability, Acid− Base and Spin Properties, Nucleophilicity, and Electrophilicity via Computational and Conceptual Density Functional Theory
J Oláh, T Veszprémi, F De Proft, P Geerlings
The Journal of Physical Chemistry A 111 (42), 10815-10823, 2007
372007
Spin-philicity and spin-donicity of simple nitrenes and phosphinidenes
J Oláh, T Veszprémi, MT Nguyen
Chemical physics letters 401 (4-6), 337-341, 2005
332005
Oxazol-2-ylidenes. A new class of stable carbenes?
Z Kelemen, O Hollóczki, J Oláh, L Nyulászi
RSC advances 3 (21), 7970-7978, 2013
242013
Studies on an iron (iii)-peroxo porphyrin. Iron (iii)-peroxo or iron (ii)-superoxo?
K Duerr, J Olah, R Davydov, M Kleimann, J Li, N Lang, R Puchta, ...
Dalton Transactions 39 (8), 2049-2056, 2010
242010
Drude-type conductivity of charged sphere colloidal crystals: Density and temperature dependence
M Medebach, RC Jordán, H Reiber, HJ Schöpe, R Biehl, M Evers, ...
The Journal of chemical physics 123 (10), 104903, 2005
242005
Direct Hydride Shift Mechanism and Stereoselectivity of P450nor Confirmed by QM/MM Calculations
B Kramos, DK Menyhard, J Olah
The Journal of Physical Chemistry B 116 (2), 872-885, 2012
222012
Evolutionary and mechanistic insights into substrate and product accommodation of CTP:phosphocholine cytidylyltransferase from Plasmodium falciparum
GN Nagy, L Marton, B Krámos, J Oláh, Á Révész, K Vékey, F Delsuc, ...
The FEBS journal 280 (13), 3132-3148, 2013
182013
Convergence of atomic charges with the size of the enzymatic environment
DEP Vanpoucke, J Oláh, F De Proft, V Van Speybroeck, G Roos
Journal of Chemical Information and Modeling 55 (3), 564-571, 2015
172015
Nucleophilicity and electrophilicity of silylenes from a molecular electrostatic potential and dual descriptor perspectives
JV Correa, P Jaque, J Oláh, A Toro-Labbé, P Geerlings
Chemical Physics Letters 470 (4-6), 180-186, 2009
172009
Water-formamide mixtures: Topology of the hydrogen-bonded network
I Bakó, J Oláh, A Lábas, S Bálint, L Pusztai, MCB Funel
Journal of Molecular Liquids 228, 25-31, 2017
162017
Quantum mechanical modeling: a tool for the understanding of enzyme reactions
G Náray-Szabó, J Oláh, B Krámos
Biomolecules 3 (3), 662-702, 2013
162013
Solution behavior of iron (III) and iron (II) porphyrins in DMSO and reaction with superoxide. Effect of neighboring positive charge on thermodynamics, kinetics and nature of …
K Duerr, O Troeppner, J Olah, J Li, A Zahl, T Drewello, N Jux, JN Harvey, ...
Dalton Transactions 41 (2), 546-557, 2012
152012
Enolization as an alternative proton delivery pathway in human aromatase (P450 19A1)
B Kramos, J Olah
The Journal of Physical Chemistry B 118 (2), 390-405, 2014
132014
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Cikkek 1–20