Grzegorz Mazur
Grzegorz Mazur
Department of Computational Methods in Chemistry, Jagiellonian University
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Cited by
Cited by
Quantum chemical valence indices from the one-determinantal difference approach
RF Nalewajski, J Mrozek, G Mazur
Canadian journal of chemistry 74 (6), 1121-1130, 1996
Application of the dressed time‐dependent density functional theory for the excited states of linear polyenes
G Mazur, R Włodarczyk
Journal of computational chemistry 30 (5), 811-817, 2009
A uniform approach to the description of multicenter bonding
DW Szczepanik, M Andrzejak, K Dyduch, E Żak, M Makowski, G Mazur, ...
Physical Chemistry Chemical Physics 16 (38), 20514-20523, 2014
Quantum chemical results as input for solid state calculations: charge transfer states in molecular crystals
M Andrzejak, G Mazur, P Petelenz
Journal of Molecular Structure: THEOCHEM 527 (1), 91-102, 2000
Automatized Parameterization of DFTB Using Particle Swarm Optimization
CP Chou, Y Nishimura, CC Fan, G Mazur, S Irle, HA Witek
Journal of chemical theory and computation 12 (1), 53-64, 2015
Theoretical calculations of the electroabsorption spectra of perylenetetracarboxylic dianhydride
G Mazur, P Petelenz, M Slawik
The Journal of chemical physics 118 (3), 1423-1432, 2003
Time-dependent density functional theory gradients in the Amsterdam density functional package: geometry optimizations of spin-flip excitations
M Seth, G Mazur, T Ziegler
Theoretical Chemistry Accounts 129 (3-5), 331-342, 2011
Dressed TDDFT study of low‐lying electronic excited states in selected linear polyenes and diphenylopolyenes
G Mazur, M Makowski, R Włodarczyk, Y Aoki
International Journal of Quantum Chemistry 111 (4), 819-825, 2011
Charge transfer excitons in perylenetetracarboxylic dianhydride–microelectrostatic calculations
G Mazur, P Petelenz
Chemical Physics Letters 324 (1), 161-165, 2000
Development and Optimization of Computational Chemistry Algorithms.
G Mazur, M Makowski
Computing and Informatics 28 (1), 115-125, 2009
Charge-Transfer States in Pentacene: Dimer versus Crystal
P Petelenz, M Snamina, G Mazur
The Journal of Physical Chemistry C 119 (25), 14338-14342, 2015
Automatized Parameterization of the Density‐functional Tight‐binding Method. II. Two‐center Integrals
HA Witek, CP Chou, G Mazur, Y Nishimura, S Irle, B Aradi, T Frauenheim, ...
Journal of the Chinese Chemical Society 63 (1), 57-68, 2016
A neural-network controlled dynamic evolutionary scheme for global molecular geometry optimization
A Styrcz, J Mrozek, G Mazur
International Journal of Applied Mathematics and Computer Science 21 (3 …, 2011
Band gap and binding energies of charge-transfer excitons in organic molecular crystals
P Petelenz, G Mazur
Chemical physics letters 301 (3), 223-227, 1999
Analysis of the Basic Implementation Aspects of Hardware-Accelerated Density Functional Theory Calculations
M Wielgosz, G Mazur, M Makowski, E Jamro, P Russek, K Wiatr
Computing and Informatics 29 (6), 989-1000, 2010
Transition dipole moments of charge transfer excitations in one-component molecular crystals
G Mazur, P Petelenz, M Slawik
Chemical Physics 397, 92-97, 2012
Charge-transfer integrals for perylenetetracarboxylic dianhydride (PTCDA): Critical overview of available computational methods
P Petelenz, G Mazur
Polish journal of chemistry 76 (2-3), 177-186, 2002
An improved SCPF scheme for polarization energy calculations
G Mazur
Journal of computational chemistry 29 (6), 988-993, 2008
Charge-pair states in organic molecular crystals: localized vs. delocalized description
P Petelenz, G Mazur
Synthetic metals 109 (1), 73-77, 2000
Effective resource allocation in parallel quantum-chemical calculations
G Mazur, M Makowski, M Brela
Computing and Informatics 30 (4), 761-771, 2011
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