Stebėti
Jacek Korchowiec
Jacek Korchowiec
Profesor Chemii, Uniwersytet Jagielloński
Patvirtintas el. paštas uj.edu.pl
Pavadinimas
Cituota
Cituota
Metai
Molecular hardness and softness parameters and their use in chemistry
RF Nalewajski, J Korchowiec, Z Zhou
International Journal of Quantum Chemistry 34 (S22), 349-366, 1988
1361988
Charge sensitivity approach to electronic structure and chemical reactivity
RF Nalewajski, J Korchowiec
World Scientific, 1997
1301997
A new localization scheme for the elongation method
FL Gu, Y Aoki, J Korchowiec, A Imamura, B Kirtman
The Journal of chemical physics 121 (21), 10385-10391, 2004
1252004
Reactivity criteria in charge sensitivity analysis
RF Nalewajski, J Korchowiec, A Michalak
Density functional theory IV: theory of chemical reactivity, 25-141, 1996
861996
New energy partitioning scheme based on the self-consistent charge and configuration method for subsystems: application to water dimer system
J Korchowiec, T Uchimaru
The Journal of Chemical Physics 112 (4), 1623-1633, 2000
812000
Elongation method with cutoff technique for linear SCF scaling
J Korchowiec, FL Gu, A Imamura, B Kirtman, Y Aoki
International journal of quantum chemistry 102 (5), 785-794, 2005
652005
DFT studies of cation binding by β-cyclodextrin
A Stachowicz, A Styrcz, J Korchowiec, A Modaressi, M Rogalski
Theoretical Chemistry Accounts 130, 939-953, 2011
632011
Revealing the bonding pattern from the molecular electron density using single exponential decay detector: an orbital‐free alternative to the electron localization function
P de Silva, J Korchowiec, TA Wesolowski
ChemPhysChem 13 (15), 3462-3465, 2012
592012
Mixed DPPC/POPC monolayers: all-atom molecular dynamics simulations and Langmuir monolayer experiments
A Olżyńska, M Zubek, M Roeselova, J Korchowiec, L Cwiklik
Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (12), 3120-3130, 2016
582016
Hydrogen Abstraction from Methane and Hydrofluoromethanes by OH Radical:  Modified GAUSSIAN-2 Study
J Korchowiec, S Kawahara, K Matsumura, T Uchimaru, M Sugie
The Journal of Physical Chemistry A 103 (18), 3548-3553, 1999
551999
Calixarenes in a Membrane Environment: A Monolayer Study on the Miscibility of Three p-tert-Butylcalix [4] arene β-Lactam Derivatives with 1, 2-Dimyristoyl-sn-glycero-3 …
B Korchowiec, AB Salem, Y Corvis, JBR de Vains, J Korchowiec, ...
The Journal of Physical Chemistry B 111 (46), 13231-13242, 2007
532007
Elongation method at restricted open‐shell Hartree–Fock level of theory
J Korchowiec, FL Gu, Y Aoki
International journal of quantum chemistry 105 (6), 875-882, 2005
512005
Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems
M Makowski, J Korchowiec, FL Gu, Y Aoki
Journal of computational chemistry 27 (13), 1603-1619, 2006
482006
Group electronegativity and Fukui function studies of the substituent effects in aromatic and inorganic systems
J Korchowiec, RF Nalewajski
International journal of quantum chemistry 44 (6), 1027-1040, 1992
391992
Nucleophilic properties of purine bases: inherent reactivity versus reaction conditions
A Stachowicz-Kuśnierz, J Korchowiec
Structural Chemistry 27, 543-555, 2016
372016
Importance of secondary electrostatic interactions in hydrogen-bonding complexes: an investigation using the self-consistent charge and configuration method for subsystems
T Uchimaru, J Korchowiec, S Tsuzuki, K Matsumura, S Kawahara
Chemical Physics Letters 318 (1-3), 203-209, 2000
372000
Basic concepts and illustrative applications of the sensitivity analysis of molecular charge distribution
RF Nalewajski, J Korchowiec
Journal of Molecular Catalysis 54 (3), 324-342, 1989
371989
Elongation cutoff technique armed with quantum fast multipole method for linear scaling
J Korchowiec, J Lewandowski, M Makowski, FL Gu, Y Aoki
Journal of Computational Chemistry 30 (15), 2515-2525, 2009
362009
The charge transfer Fukui function: extension of the finite-difference approach to reactive systems
J Korchowiec, T Uchimaru
The Journal of Physical Chemistry A 102 (49), 10167-10172, 1998
331998
Mechanism of addition of fluoromethyl radicals to fluoroethylenes
J Korchowiec, T Uchimaru
The Journal of Physical Chemistry A 102 (33), 6682-6689, 1998
321998
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Straipsniai 1–20