| 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 | 148 | 1996 |
| 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 | 127 | 2014 |
| 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 | 68 | 2009 |
| 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 | 67 | 2015 |
| 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 | 55 | 2011 |
| 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 | 46 | 2000 |
| 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 | 44 | 2003 |
| 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 | 37 | 2011 |
| Charge transfer excitons in perylenetetracarboxylic dianhydride–microelectrostatic calculations G Mazur, P Petelenz Chemical Physics Letters 324 (1), 161-165, 2000 | 29 | 2000 |
| 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 | 25 | 2015 |
| Development and Optimization of Computational Chemistry Algorithms. G Mazur, M Makowski Computing and Informatics 28 (1), 115-125, 2009 | 17 | 2009 |
| 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 | 14 | 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 | 13 | 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 | 12 | 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 | 10 | 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 | 7 | 2012 |
| Boys function evaluation on graphical processing units G Mazur, M Makowski, R Łazarski Journal of Mathematical Chemistry 54 (10), 2022-2047, 2016 | 5 | 2016 |
| Automatic code generation for quantum chemistry applications G Mazur, M Makowski, R Łazarski, R Włodarczyk, E Czajkowska, ... International Journal of Quantum Chemistry 116 (18), 1370-1381, 2016 | 5 | 2016 |
| An improved SCPF scheme for polarization energy calculations G Mazur Journal of computational chemistry 29 (6), 988-993, 2008 | 4 | 2008 |
| 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 | 4 | 2002 |
M. AndrzejakDirección de correo verificada de chemia.uj.edu.pl
