Dr. Robert Zaleśny
Faculty of Chemistry
Wroclaw University of Science and Technology
Wyb. Wyspiańskiego 27, PL-50370 Wrocław, Poland
E-mail: robert.zalesny _at_ pwr.edu.pl

List of publications:

[123] E. F. Petrusevich, H. Reis, B. Ośmialowski, D. Jacquemin, J. M. Luis, and R. Zaleśny. One- and two-photon absorption spectra of organoboron complexes: Vibronic and environmental effects. Physical Chemistry Chemical Physics, 00:00--00, 2024. [submitted].
[122] S. P. Sitkiewicz, R. R. Ferradas, E. Ramos-Cordoba, R. Zaleśny, E. Matito, and J. M. Luis. Spurious oscillations caused by density functional approximations: Who is to blame, exchange or correlation? Journal of Chemical Theory and Computation, 00:00--00, 2024. [accepted].
[121] K. Ahmadzadeh, X. Li, Z. Rinkevicius, P. Norman, and R. Zaleśny. Toward accurate two-photon absorption spectrum simulations: Exploring the landscape beyond the generalized gradient approximation. The Journal of Physical Chemistry Letters, 15:969--974, 2024. IF2022: 5.7 (Q1). [ DOI ]
[120] M. Ślemp, A. Miniewicz, A. Sobolewska, R. Zaleśny, A. L. Sobolewski, and P.-F. Brevet. A tale of a growth: Marangoni bursting phenomenon as viable route for obtaining fibers of organic chromophores. The Journal of Physical Chemistry C, 128:3307--3317, 2024. IF2022: 3.7 (Q2). [ DOI ]
[119] A. Hajda, A. Grelich-Mucha, P. Rybczyński, B. Ośmialowski, R. Zaleśny, and J. Olesiak-Bańska. Bf2-functionalized benzothiazole amyloid markers: Effect of donor substituents on one- and two-photon properties. ACS Applied Bio Materials, 6:5676--5684, 2023. IF2022: 4.7 (Q2). [ DOI ]
[118] S. P. Sitkiewicz, E. Matito, J. M. Luis, and R. Zaleśny. Pitfall in simulations of vibronic td-dft spectra: Diagnosis and assessment. Physical Chemistry Chemical Physics, 25:30193--30197, 2023. IF2022: 3.3 (Q1). [ DOI ]
[117] S. S. Rajput, R. Zaleśny, and M. Md. Alam. Chromophore planarity, -bh bridge effect, and two-photon activity: bi- and ter-phenyl derivatives as a case study. The Journal of Physical Chemistry A, 127:7928--7936, 2023. IF2022: 2.9 (Q2). [ DOI ]
[116] A. Avramopoulos, H. Reis, D. Tzeli, R. Zaleśny, and M. Papadopoulos. Photoswitchable molecular units with tunable non-linear optical activity: A theoretical investigation. Molecules, 28:5646, 2023. IF2022: 4.6 (Q2). [ DOI ]
[115] A. Iglesias-Reguant, H. Reis, M. Medved, B. Ośmialowski, R. Zaleśny, and J. M. Luis. Decoding the infrared spectra changes upon formation of molecular complexes: The case of halogen bonding in pyridine...perfluorohaloarene complexes. Physical Chemistry Chemical Physics, 25:20173--20177, 2023. IF2022: 3.3 (Q1). [ DOI ]
[114] E. F. Petrusevich, M. H. E. Bousquet, B. Ośmialowski, D. Jacquemin, J. M. Luis, and R. Zaleśny. Cost-effective simulations of vibrationally-resolved absorption spectra of fluorophores with machine-learning-based inhomogeneous broadening. Journal of Chemical Theory and Computation, 19:2304--2315, 2023. IF2022: 5.5 (Q1). [ DOI ]
[113] N. A. Murugan and R. Zaleśny. Computational investigations into two-photon fibril imaging using the danir-2c probe. The Journal of Physical Chemistry B, 127:3119--3125, 2023. IF2022: 3.3 (Q3). [ DOI ]
[112] A. Iglesias-Reguant, H. Reis, M. Medved, J. M. Luis, and R. Zaleśny. A new computational tool for interpreting infrared spectra of molecular complexes. Physical Chemistry Chemical Physics, 25:11658--11664, 2023. IF2022: 3.3 (Q1). [ DOI ]
[111] Elizaveta F. Petrusevich, Marta Glodek, Magda A. Antoniak, Tadeusz Muziol, Damian Plażuk, Agnieszka Siomra, Marcin Nyk, Borys Ośmialowski, and Robert Zaleśny. Difluoroborate-based bichromophores: Symmetry relaxation and two-photon absorption. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 295:122600, 2023. IF2022: 4.4 (Q1). [ DOI ]
[110] Carmelo Naim, Pau Besalu-Sala, Robert Zaleśny, Josep Maria Luis, Frederic Castet, and Eduard Matito. Are accelerated and enhanced wave function methods accurate to compute static linear and nonlinear optical properties? Journal of Chemical Theory and Computation, 19:1474--1485, 2023. IF2022: 5.5 (Q1). [ DOI ]
[109] Tomáš Hrivnák, Miroslav Medveď, Wojciech Bartkowiak, and Robert Zaleśny. Hyperpolarizabilities of push--pull chromophores in solution: Interplay between electronic and vibrational contributions. Molecules, 27:8738, 2022. IF2022: 4.6 (Q2). [ DOI ]
[108] Alex Iglesias-Reguant, Judyta Zielak-Milewska, Tomasz Misiaszek, Robert Zaleśny, Josep Maria Luis, and Borys Ośmialowski. Unveiling halogen-bonding interactions between a pyridine-functionalized fluoroborate dye and perfluorohaloarenes with fluorescence spectroscopy. Journal of Organic Chemistry, 87:15159--15165, 2022. IF2022: 3.6 (Q1). [ DOI ]
[107] Karolina Kamińska, Dominika Iwan, Alex Iglesias-Reguant, Weronika Spalek, Marek Daszkiewicz, Anna Sobolewska, Robert Zaleśny, Elżbieta Wojaczyńska, and Stanislaw Bartkiewicz. Synthesis, spectroscopic and computational studies of photochromic azobenzene derivatives with 2-azabicycloalkane scaffold. Journal of Molecular Liquids, 363:119869, 2022. IF2022: 6.0 (Q1). [ DOI ]
[106] Iryna Knysh, Mohammed Bin Jassar, Borys Ośmialowski, Robert Zaleśny, and Denis Jacquemin. In silico screening of two-photon absorption properties of a large set of bis-difluoroborate-dyes. ChemPhotoChem, 6:e202200137, 2022. IF2022: 3.7 (Q2) An invited contribution. [ DOI ]
[105] R. Sitkiewicz, S. P. Zaleśny, E. Ramos-Cordoba, J. M. Luis, and E. Matito. How reliable are modern density functional approximations to simulate vibrational spectroscopies? The Journal of Physical Chemistry Letters, 13:5963--5968, 2022. IF2022: 5.7 (Q1). [ DOI ]
[104] Bartosz Krajewski, Swati Singh Rajput, Marta Choluj, Elżbieta Wojaczyńska, Andrzej Miniewicz, Md. Mehboob Alam, and Robert Zaleśny. First-order hyperpolarizabilities of propellanes: Elucidating structure-property relationships. Physical Chemistry Chemical Physics, 24:13534--13541, 2022. IF2022: 3.3 (Q2) [2022 PCCP HOT Articles]. [ DOI ]
[103] Marta Choluj, Md. Mehboob Alam, Maarten T. P. Beerepoot, Sebastian P. Sitkiewicz, Eduard Matito, Kenneth Ruud, and Robert Zaleśny. Choosing bad versus worse: Predictions of two-photon-absorption strengths based on popular density functional approximations. Journal of Chemical Theory and Computation, 18:1046--1060, 2022. IF2022: 5.5 (Q1). [ DOI ]
[102] Marta Choluj, Rojalini Behera, Elizaveta F. Petrusevich, Wojciech Bartkowiak, Md. Mehboob Alam, and Robert Zaleśny. Much of a muchness: On the origins of two- and three-photon absorption activity of dipolar y-shaped chromophores. The Journal of Physical Chemistry A, 126:752--759, 2022. IF2022: 2.9 (Q2). [ DOI ]
[101] Marta Choluj, Josep M. Luis, Wojciech Bartkowiak, and Robert Zaleśny. Infrared spectra of hydrogen-bonded molecular complexes under spatial confinement. Frontiers in Chemistry, 9:801426, 2022. IF2022: 5.5 (Q2). [ DOI ]
[100] Iryna Knysh, Anna Kozakiewicz-Piekarz, Andrzej Wojtczak, Damian Plażuk, Glib Baryshnikov, Rashid Valiev, Rinat Nasibullin, Hans Ågren, Denis Jacquemin, Borys Ośmialowski, and Robert Zaleśny. Less is more: on the effect of benzannulation on the solid-state emission of difluoroborates. Journal of Materials Chemistry C, 9:15820--15830, 2021. IF2021: 8.067 (Q1). [ DOI ]
[99] Borys Ośmialowski, Elizaveta F. Petrusevich, Katarzyna Nawrot, Bartlomiej Paszkiewicz, Marcin Nyk, Judyta Zielak, Beata Jedrzejewska, Josep M. Luis, Denis Jacquemin, and Robert Zaleśny. Tailoring nonlinear absorption of fluorescent dyes by substitution at a boron center. Journal of Materials Chemistry C, 9:6225--6233, 2021. IF2021: 8.067 (Q1). [ DOI ]
[98] Tatyana N. Moshkina, Emiliya V. Nosova, Galina N. Lipunova, Marina S. Valova, Elizaveta F. Petrusevich, Robert Zaleśny, Borys Ośmialowski, and Valery N. Charushin. Substituted 2-(2-hydroxyphenyl)–3h-quinazolin-4-ones and their difluoroboron complexes: Synthesis and photophysical properties. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 252:119497, 2021. IF2021: 4.831 (Q1). [ DOI ]
[97] Elizaveta F. Petrusevich, Borys Ośmialowski, Robert Zaleśny, and Md. Mehboob Alam Alam. Two-photon absorption activity of bophy derivatives: Insights from theory. The Journal of Physical Chemistry A, 125:2581--2587, 2021. IF2021: 2.944 (Q2). [ DOI ]
[96] Borys Ośmialowski, Elizaveta F. Petrusevich, Magda A. Antoniak, Izabela Grela, Mohammed A. Bin Jassar, Marcin Nyk, Josep M. Luis, Beata Jedrzejewska, Robert Zaleśny, and Denis Jacquemin. Controlling two-photon action cross section by changing a single heteroatom position in fluorescent dyes. The Journal of Physical Chemistry Letters, 11:5920--5925, 2020. IF2020: 6.475 (Q1). [ DOI ]
[95] Tomáš Hrivnák, Heribert Reis, Pavel Neogrády, Robert Zaleśny, and Miroslav Medved. Accurate nonlinear optical properties of solvated para-nitroaniline predicted by an electrostatic discrete local field approach. The Journal of Physical Chemistry B, 124:10195--10209, 2020. IF2020: 2.991 (Q3). [ DOI ]
[94] N. Arul Murugan and Robert Zaleśny. Multiscale modeling of two-photon probes for parkinson's diagnostics based on monoamine oxidase b biomarker. Journal of Chemical Information and Modeling, 60:3854–--3863, 2020. IF2020: 4.956 (Q1). [ DOI ]
[93] David C. Mayer, Jan K. Zareba, Gabriele Raudaschl-Sieber, Alexander Pöthig, Marta Choluj, Robert Zaleśny, Marek Samoć, and Roland A. Fischer. Post-synthetic framework contraction enhances the two-photon absorption properties of pillar-layered metal-organic frameworks. Chemistry of Materials, 32:5682--5690, 2020. IF2020: 9.811 (Q1). [ DOI ]
[92] Robert Zaleśny, Mehboob Md. Alam, , Paul N. Day, Kiet A. Nguyen, Ruth Pachter, Chang-Keun Lim, Paras N. Prasad, and Hans Ågren. Computational design of two-photon active organic molecules for infrared responsive materials. Journal of Materials Chemistry C, 8:9867--9873, 2020. IF2020: 7.393 (Q1). [ DOI ]
[91] Tuan-Anh Tran and Robert Zaleśny. Predictions of high-order electric properties of molecules: Can we benefit from machine learning? ACS Omega, 5:5318--5325, 2020. IF2020: 3.512 (Q2). [ DOI ]
[90] Chang-Keun Lim, Melissa Maldonado, Robert Zaleśny, Rashid Valiev, Hans Ågren, Anderson S. L. Gomes, Jie Jiang, Ruth Pachter, and Paras N. Prasad. Interlayer-sensitized linear and nonlinear photoluminescence of quasi-2d hybrid perovskites using aggregation-induced enhanced emission active organic cation layers. Advanced Functional Materials, page 1909375, 2020. IF2020: 18.808 (Q1). [ DOI ]
[89] Tatyana N. Moshkina, Emiliya V. Nosova, Alexandra E. Kopotilova, Galina N. Lipunova, Marina S. Valova, Leila K. Sadieva, Dmitry S. Kopchuk, Pavel A. Slepukhin, Robert Zaleśny, Borys Ośmialowski, and Valery N. Charushin. Synthesis and photophysical studies of novel v-shaped 2,3-bis5-aryl-2-thienyl(dibenzo[f,h])quinoxalines. Asian Journal of Organic Chemistry, 9(4):673--681, 2020. IF2020: 3.319 (Q2). [ DOI ]
[88] M. Medved, A. Iglesias, H. Reis, R. Gora, J. M. Luis, and R. Zaleśny. Partitioning of interaction-induced nonlinear optical properties of molecular complexes. ii. halogen-bonded systems. Physical Chemistry Chemical Physics, 22:4225--4234, 2020. IF2020: 3.676 (Q1). [ DOI ]
[87] A. Avramopoulos, R. Zaleśny, H. Reis, and H. Papadopoulos. A computational strategy for the design of photochromic derivatives based on diarylethene and nickel dithiolene with large contrast in non-linear optical properties. The Journal of Physical Chemistry C, 124:4221--4241, 2020. IF2020: 4.126 (Q2). [ DOI ]
[86] R. Zaleśny, M. Medved', S. Sitkiewicz, E. Matito, and J. M. Luis. Can density functional theory be trusted for high-order electric properties? the case of hydrogen-bonded complexes. Journal of Chemical Theory and Computation, 15:3570--3579, 2019. IF2019: 5.011 (Q1). [ DOI ]
[85] R. Zaleśny, N. Szczotka, A. Grabarz, B. Ośmialowski, and D. Jacquemin. Design of two‐photon‐excited fluorescent dyes containing fluoroborylene groups. ChemPhotoChem, 3:719--726, 2019. IF2019: 2.838 (Q3), An invited contribution to a Special Issue on Computational Photochemistry. [ DOI ]
[84] A. Miniewicz, S. Bartkiewicz, E. Wojaczyńska, T. Galica, R. Zaleśny, and R. Jakubas. Second harmonic generation in nonlinear optical crystal formed of propellane-type molecule. Journal of Materials Chemistry C, 7:1255--1262, 2019. IF2019: 7.059 (Q1). [ DOI ]
[83] T. Hrivnák, Š. Budzák, H. Reis, R. Zaleśny, P. Carbonniere, and M. Medved'. Electric properties of hydrated uracil: From micro- to macrohydration. Journal of Molecular Liquids, 275:338--346, 2019. IF2019: 5.065 (Q1). [ DOI ]
[82] N. A. Murugan, R. Zaleśny, and H. Ågren. Unusual binding-site-specific photophysical properties of the benzothiazole-based optical probe in amyloid beta fibrils. Physical Chemistry Chemical Physics, 20:20334--20339, 2018. IF2018: 3.567 (Q1). [ DOI ]
[81] R. Zaleśny, M. Medved', R. W. Góra, H. Reis, and J. M. Luis. Partitioning of interaction-induced nonlinear optical properties of molecular complexes. i. hydrogen-bonded systems. Physical Chemistry Chemical Physics, 20:19841--19849, 2018. IF2018: 3.567 (Q1)  [2018 PCCP HOT Articles]. [ DOI ]
[80] M. T. P. Beerepoot, Md. M. Alam, J. Bednarska, W. Bartkowiak, K. Ruud, and R. Zaleśny. Benchmarking the performance of exchange-correlation functionals for predicting two-photon absorption strengths. Journal of Chemical Theory and Computation, 14:3677--3685, 2018. IF2018: 5.313 (Q1). [ DOI ]
[79] H. Reis , D. Lauvergnat, J. M. Luis, and R. Zaleśny. Vibrational linear and nonlinear optical properties: Theory, methods, and application. In Frontiers of Quantum Chemistry, pages 401--429. Springer Nature Singapore Pte Ltd., 2018. [ DOI ]
[78] A. Justyniarski, J. K. Zareba, P. Hańczyc, P. Fita, M. Choluj, R. Zaleśny, and M. Samoć. Utilizing formation of dye aggregates with aggregation-induced emission characteristics for enhancement of two-photon absorption. Journal of Materials Chemistry C, 6:4384--4388, 2018. IF2018: 6.641 (Q1). [ DOI ]
[77] J. Bednarska , R. Zaleśny, W. Bartkowiak, B. Ośmialowski, M. Medved', and D. Jacquemin. Quantifying the performances of dft for predicting vibrationally resolved optical spectra: Asymmetric fluoroborate dyes as working examples. Journal of Chemical Theory and Computation, 13:4347--4356, 2017. IF2017: 5.399 (Q1). [ DOI ]
[76] J. Bednarska , R. Zaleśny, G. Tian, N. A. Murugan, H. Ågren, and W. Bartkowiak. Nonempirical simulations of inhomogeneous broadening of electronic transitions in solution: Predicting band shapes in one- and two-photon absorption spectra of chalcones. Molecules, 22:1643, 2017. IF2017: 3.098 (Q2). [ DOI ]
[75] R. Zaleśny, M. Choluj, J. Kozlowska, W. Bartkowiak, and J. M. Luis. Vibrational nonlinear optical properties of spatially confined weakly bound complexes. Physical Chemistry Chemical Physics, 19:24276--24283, 2017. IF2017: 3.906 (Q1). [ DOI ]
[74] J. Kozlowska , M. Choluj, R. Zaleśny, and W. Bartkowiak . Two-photon absorption of the spatially confined lih molecule. Physical Chemistry Chemical Physics, 19:7568--7575, 2017. IF2017: 3.906 (Q1). [ DOI ]
[73] J. Bednarska , R. Zaleśny , M. Wielgus, B. Jedrzejewska, R. Puttreddy, K. Rissanen, W. Bartkowiak, H. Ågren , and B. Ośmialowski . Two-photon absorption of bf2-carrying compounds: insights from theory and experiment. Physical Chemistry Chemical Physics, 19:5705--5708, 2017. IF2017: 3.906 (Q1). [ DOI ]
[72] A. M. Grabarz, B. Jedrzejewska, A. Zakrzewska, R. Zaleśny, A. D. Laurent, D. Jacquemin , and B. Ośmialowski . Photophysical properties of phenacylphenantridine difluoroboranyls: Effect of substituent and double benzannulation. The Journal of Organic Chemistry, 82:1529--1537, 2017. IF2017: 4.805 (Q1). [ DOI ]
[71] J. Bednarska , R. Zaleśny, N. A. Murugan, W. Bartkowiak, H. Ågren, and M. Odelius. Elucidating the mechanism of zn2+ sensing by a bipyridine probe based on two-photon absorption. Journal of Physical Chemistry B, 120:9067--9075, 2016. IF2016: 3.177 (Q2). [ DOI ]
[70] B. Jędrzejewska , B. Ośmiałowski, and R. Zaleśny. Application of spectroscopic and theoretical methods in the studies of photoisomerization and photophysical properties of the push-pull styryl-benzimidazole dyes. Photochemical & Photobiological Sciences, 15:117--128, 2016. IF2016: 2.344 (Q3). [ DOI ]
[69] R. Zaleśny , M. Garcia-Borrás, R. Góra, M. Medveď, and J. M. Luis. On the physical origins of interaction-induced vibrational (hyper)polarizabilities. Physical Chemistry Chemical Physics, 18:22467--22477, 2016. IF2016: 4.123 (Q1). [ DOI ]
[68] R. Zaleśny , N. A. Murugan, G. Tian, M. Medveď, and H. Agren. First-principles simulations of one- and two-photon absorption band shapes of the bis(bf2) core complex. Journal of Physical Chemistry B, 120:2323--2332, 2016. IF2016: 3.177 (Q2). [ DOI ]
[67] R. Zaleśny , R. Góra, J. M. Luis, and W. Bartkowiak . On the particular importance of vibrational contributions to the static electrical properties of model linear molecules under spatial confinement. Physical Chemistry Chemical Physics, 17:21782--21786, 2015. IF2015: 4.449 (Q1). [ DOI ]
[66] R. Zaleśny , A. Baranowska-Łączkowska , M. Medveď, and J. M. Luis. Comparison of property-oriented basis sets for the computation of electronic and nuclear relaxation hyperpolarizabilities. Journal of Chemical Theory and Computation, 11:4119--4128, 2015. IF2015: 5.301 (Q1). [ DOI ]
[65] R. Zaleśny , N. A. Murugan, F. Gel'mukhanov, Z. Rinkevicius, B. Ośmiałowski, W. Bartkowiak, and H. Agren . Toward fully nonempirical simulations of optical band shapes of molecules in solution: A case study of heterocyclic ketoimine difluoroborates. The Journal of Physical Chemistry A, 119:5145--5152, 2015. IF2015: 2.883 (Q2), Jacopo Tomasi Festschrift. [ DOI ]
[64] N. H. List, R. Zaleśny, N. A. Murugan, J. Kongsted , W. Bartkowiak, and H. Ågren . Relation between nonlinear optical properties of push-pull molecules and metric of charge transfer excitations. Journal of Chemical Theory and Computation, 11:4182--4188, 2015. IF2015: 5.301 (Q1). [ DOI ]
[63] B. Ośmiałowski , A. Zakrzewska, B. Jędrzejewska, A. Grabarz, R. Zaleśny, W. Bartkowiak, and E. Kolehmainen. Influence of substituent and benzoannulation on photophysical properties of 1-benzoylmethyleneisoquinoline difluoroborates. Journal of Organic Chemistry, 80(4):2072--2080, 2015. IF2015: 4.785 (Q1). [ DOI ]
[62] K. Matczyszyn , J. Olesiak-Banska, K. Nakatani, P. Yu, N.A. Murugan, R. Zaleśny, A. Roztoczyńska, J. Bednarska, W. Bartkowiak, J. Kongsted, H. Ågren, and M. Samoc. One- and two-photon absorption of a spiropyran - merocyanine system: Experimental and theoretical studies. Journal of Physical Chemistry B, 119(4):1515--1522, 2015. IF2015: 3.187 (Q2). [ DOI ]
[61] R. Zaleśny , G. Tian, C. Hättig, W. Bartkowiak, and H. Ågren . Toward assessment of density functionals for vibronic coupling in two-photon absorption: A case study of 4-nitroaniline. Journal of Computational Chemistry, 36:1124--1131, 2015. IF2015: 3.648 (Q2). [ DOI ]
[60] N. Arul Murugan , R. Zaleśny, J. Kongsted, A. Nordberg, and H. Ågren. Promising two-photon probes for in vivo detection of β amyloid deposits. Chemical Communications, 50:11694--11697, 2014. IF2014: 6.834 (Q1). [ DOI ]
[59] M.G. Vivas , D.L. Silva, J. Malinge, M. Boujtita, R. Zaleśny, W. Bartkowiak, H. Ågren, S. Canuto, L. De Boni, E. Ishow, and C.R. Mendonca . Molecular structure - optical property relationships for a series of non-centrosymmetric two-photon absorbing push-pull triarylamine molecules. Scientific Reports, 4, 2014. IF2014: 5.578 (Q1). [ DOI ]
[58] R. Zaleśny . Anharmonicity contributions to the vibrational first and second hyperpolarizability of para-disubstituted benzenes. Chemical Physics Letters, 595-596:109--112, 2014. IF2014: 1.897 (Q2). [ DOI ]
[57] N.A. Murugan , R. Zaleśny, J. Kongsted, and H. Ågren. Chelation-induced quenching of two-photon absorption of azacrown ether substituted distyryl benzene for metal ion sensing. Journal of Chemical Theory and Computation, 10(2):778--788, 2014. IF2014: 5.498 (Q1). [ DOI ]
[56] J. Kozłowska, R. Zaleśny, and W. Bartkowiak . On the nonlinear electrical properties of molecules in confined spaces - from cylindrical harmonic potential to carbon nanotube cages. Chemical Physics, 428:19--28, 2014. IF2014: 1.652 (Q3). [ DOI ]
[55] M. Wielgus, R. Zaleśny, N.A. Murugan, J. Kongsted, H. Ågren, M. Samoc, and W. Bartkowiak . Two-photon solvatochromism ii: Experimental and theoretical study of solvent effects on the two-photon absorption spectrum of Reichardt's dye. ChemPhysChem, 14(16):3731--3739, 2013. IF2013: 3.360 (Q1). [ DOI ]
[54] J. Olesiak-Banska , K. Matczyszyn, R. Zaleśny , N.A. Murugan, J. Kongsted, H. Ågren, W. Bartkowiak, and M. Samoc. Revealing spectral features in two-photon absorption spectrum of Hoechst 33342: A combined experimental and quantum-chemical study. Journal of Physical Chemistry B, 117(40):12013--12019, 2013. IF2013: 3.377 (Q2). [ DOI ]
[53] J. Bednarska, A. Roztoczyńska, W. Bartkowiak, and R. Zaleśny . Comparative assessment of density functionals for excited-state dipole moments. Chemical Physics Letters, 584:58--62, 2013. IF2013: 1.991 (Q3). [ DOI ]
[52] A. Zakrzewska, R. Zaleśny , E. Kolehmainen, B. Ośmiałowski , B. Jędrzejewska, H. Ågren, and M. Pietrzak. Substituent effects on the photophysical properties of fluorescent 2-benzoylmethylenequinoline difluoroboranes: A combined experimental and quantum chemical study. Dyes and Pigments, 99(3):957--965, 2013. IF2013: 3.468 (Q1). [ DOI ]
[51] R. Zaleśny, R.W. Góra , J. Kozłowska, J.M. Luis, H. Ågren, and W. Bartkowiak . Resonant and nonresonant hyperpolarizabilities of spatially confined molecules: A case study of cyanoacetylene. Journal of Chemical Theory and Computation, 9(8):3463--3472, 2013. IF2013: 5.310 (Q1). [ DOI ]
[50] I.W. Bulik, R. Zaleśny , W. Bartkowiak, J.M. Luis , B. Kirtman, G.E. Scuseria, A. Avramopoulos, H. Reis, and M.G. Papadopoulos. Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities. Journal of Computational Chemistry, 34(20):1775--1784, 2013. IF2013: 3.601 (Q1). [ DOI ]
[49] M.G. Vivas , D.L. Silva, L. De Boni, Y. Bretonniere, C. Andraud, F. Laibe-Darbour, J.-C. Mulatier, R. Zaleśny, W. Bartkowiak, S. Canuto, and C.R. Mendonca . Revealing the electronic and molecular structure of randomly oriented molecules by polarized two-photon spectroscopy. Journal of Physical Chemistry Letters, 4(10):1753--1759, 2013. IF2013: 6.687 (Q1). [ DOI ]
[48] W. Zierkiewicz , R. Zaleśny, and P. Hobza. On the nature of unusual intensity changes in the infrared spectra of the enflurane-acetone complexes. Physical Chemistry Chemical Physics, 15(16):6001--6007, 2013. IF2013: 4.198 (Q1). [ DOI ]
[47] S.P. Sitkiewicz, M.M. Mikołajczyk , P. Toman, R. Zaleśny, and W. Bartkowiak. Towards first-principles based modeling of poly-3-alkylthiophenes: The nature of interactions in 2,2'-bithiophene dimer. Chemical Physics Letters, 566:67--70, 2013. IF2013: 1.991 (Q3). [ DOI ]
[46] K. Łączkowski, Z. Czyżnikowska, R. Zaleśny, and A. Baranowska-Łączkowska . The b-h-b bridging interaction in b-substituted oxazaborolidine-borane complexes: a theoretical study. Structural Chemistry, 24:1485--1492, 2013. IF2013: 1.900 (Q2). [ DOI ]
[45] A. Baranowska-Łączkowska , W. Bartkowiak, R.W. Góra, F. Pawłowski, and R. Zaleśny . On the performance of long-range-corrected density functional theory and reduced-size polarized lpol-n basis sets in computations of electric dipole (hyper)polarizabilities of π-conjugated molecules. Journal of Computational Chemistry, 34(10):819--826, 2013. IF2013: 3.601 (Q1). [ DOI ]
[44] A. Baranowska-Łączkowska , B. Fernandez, and R. Zaleśny. New basis sets for the evaluation of interaction-induced electric properties in hydrogen-bonded complexes. Journal of Computational Chemistry, 34(4):275--283, 2013. IF2013: 3.601 (Q1). [ DOI ]
[43] Z. Czyżnikowska , R.W. Góra, R. Zaleśny, W. Bartkowiak, A. Baranowska-Łączkowska, and J. Leszczynski. The effect of intermolecular interactions on the electric dipole polarizabilities of nucleic acid base complexes. Chemical Physics Letters, 555:230--234, 2013. IF2013: 1.991 (Q3). [ DOI ]
[42] M.G. Vivas , D.L. Silva, L. De Boni, Y. Bretonniere, C. Andraud, F. Laibe-Darbour, J.-C. Mulatier, R. Zaleśny, W. Bartkowiak, S. Canuto, and C.R. Mendonca . Experimental and theoretical study on the one-and two-photon absorption properties of novel organic molecules based on phenylacetylene and azoaromatic moieties. Journal of Physical Chemistry B, 116(50):14677--14688, 2012. IF2012: 3.607 (Q2). [ DOI ]
[41] R. Zaleśny, I.W. Bulik, M. Mikołajczyk, W. Bartkowiak, J.M. Luis, B. Kirtman, A. Avramopoulos, and M.G. Papadopoulos. Critical assessment of density functional theory for computing vibrational (hyper)polarizabilities. AIP Conference Proceedings, 1504:655--658, 2012. [ DOI ]
[40] R.W. Góra, R. Zaleśny, J. Kozłowska, P. Naciążek, A. Roztoczyńska, K. Strasburger , and W. Bartkowiak . Electric dipole (hyper)polarizabilities of spatially confined lih molecule. Journal of Chemical Physics, 137(9), 2012. IF2012: 3.164 (Q1). [ DOI ]
[39] M.M. Mikołajczyk , Z. Czyżnikowska, P. Czeleń, U. Bielecka, R. Zaleśny, P. Toman, and W. Bartkowiak. Quantum chemical study of hole transfer coupling in nucleic acid base complexes containing 7-deazaadenine. Chemical Physics Letters, 537:94--100, 2012. IF2012: 2.145 (Q2). [ DOI ]
[38] B. Skwara, R.W. Góra , R. Zaleśny, P. Lipkowski, W. Bartkowiak, H. Reis, M.G. Papadopoulos , J.M. Luis, and B. Kirtman . Electronic structure, bonding, spectra, and linear and nonlinear electric properties of ti@c 28. Journal of Physical Chemistry A, 115(37):10370--10381, 2011. IF2011: 2.946 (Q2). [ DOI ]
[37] M.M. Mikołajczyk, R. Zaleśny, Z. Czyżnikowska, P. Toman, J. Leszczynski, and W. Bartkowiak . Long-range corrected dft calculations of charge-transfer integrals in model metal-free phthalocyanine complexes. Journal of Molecular Modeling, 17(9):2143--2149, 2011. IF2011: 1.797 (Q2). [ DOI ]
[36] M.G. Vivas, D.L. Silva, L.D. Boni, R. Zaleśny, W. Bartkowiak, and C.R. Mendonca . Two-photon absorption spectra of carotenoids compounds. Journal of Applied Physics, 109(10), 2011. IF2011: 2.168 (Q2). [ DOI ]
[35] R.W. Góra , R. Zaleśny, A. Zawada, W. Bartkowiak, B. Skwara, M.G. Papadopoulos, and D.L. Silva. Large changes of static electric properties induced by hydrogen bonding: An ab initio study of linear hcn oligomers. Journal of Physical Chemistry A, 115(18):4691--4700, 2011. IF2011: 2.946 (Q2). [ DOI ]
[34] H. Reis , O. Loboda, A. Avramopoulos, M.G. Papadopoulos , B. Kirtman , J.M. Luis , and R. Zaleśny. Electronic and vibrational linear and nonlinear polarizabilities of li@c60 and [li@c60]+. Journal of Computational Chemistry, 32(5):908--914, 2011. IF2011: 4.583 (Q1). [ DOI ]
[33] R. Zaleśny , I.W. Bulik, W. Bartkowiak, J.M. Luis, A. Avramopoulos, M.G. Papadopoulos, and P. Krawczyk. Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene. Journal of Chemical Physics, 133(24), 2010. IF2010: 2.921 (Q1). [ DOI ]
[32] Z. Czyżnikowska , R. Zaleśny, and M.G. Papadopoulos. Nucleic acid base complexes: Elucidation of the physical origins of their stability. In Practical Aspects of Computational Chemistry: Methods, Concepts and Applications, pages 387--397. Springer Netherlands, 2010. [ DOI ]
[31] Z. Czyżnikowska , R. W. Góra, R. Zaleśny, P. Lipkowski, K.N. Jarzembska, P.M. Dominiak, and J. Leszczynski. Structural variability and the nature of intermolecular interactions in watson-crick b-dna base pairs. Journal of Physical Chemistry B, 114(29):9629--9644, 2010. IF2010: 3.603 (Q2). [ DOI ]
[30] M.G. Vivas, D.L. Silva, L. Misoguti, R. Zaleśny, W. Bartkowiak, and C.R. Mendonca . Degenerate two-photon absorption in all-trans retinal: Nonlinear spectrum and theoretical calculations. Journal of Physical Chemistry A, 114(10):3466--3470, 2010. IF2010: 2.732 (Q2). [ DOI ]
[29] R. Zaleśny , O. Loboda , K. Iliopoulos, G. Chatzikyriakos, S. Couris , G. Rotas, N. Tagmatarchis , A. Avramopoulos, and M.G. Papadopoulos . Linear and nonlinear optical properties of triphenylamine-functionalized c60: Insights from theory and experiment. Physical Chemistry Chemical Physics, 12(2):373--381, 2010. IF2010: 3.454 (Q1). [ DOI ]
[28] Z. Czyżnikowska, R. Zaleśny, and M.G. Papadopoulos. On the role of electrostatic interactions in stabilization of oxidizad nucleic acid base complexes. AIP Conference Proceedings, 1148:301--304, 2009. [ DOI ]
[27] Z. Czyżnikowska, J. Kurzawa, R. Zaleśny, P. Lipkowski, and W. Bartkowiak . Reinvestigation of electronic structure and electric properties of large betaine molecules: A combined long-range-corrected dft and coupled-cluster study. Chemical Physics Letters, 480(1-3):37--40, 2009. IF2009: 2.291 (Q2). [ DOI ]
[26] E. Piovesan, D.L. Silva, L. De Boni, F.E.G. Guimaraes, L. Misoguti, R. Zaleśny, W. Bartkowiak, and C.R. Mendonca . Two-photon absorption of perylene derivatives: Interpreting the spectral structure. Chemical Physics Letters, 479(1-3):52--55, 2009. IF2009: 2.291 (Q2). [ DOI ]
[25] R. Zaleśny , G. Wójcik, I. Mossakowska, W. Bartkowiak, A. Avramopoulos, and M.G. Papadopoulos. Static electronic and vibrational first hyperpolarizability of meta-dinitrobenzene as studied by quantum chemical calculations. Journal of Molecular Structure: THEOCHEM, 907(1-3):46--50, 2009. IF2009: 1.216 (Q3). [ DOI ]
[24] R. Zaleśny, P. Krawczyk, W. Bartkowiak, and M.G. Papadopoulos. Electronic and vibrational contributions to hyperpolarizabilities of medium-size organic molecules. AIP Conference Proceedings, 1108:227--230, 2009. [ DOI ]
[23] O. Loboda, R. Zaleśny, A. Avramopoulos, M.G. Papadopoulos, and E. Artacho. Linear-scaling calculations of linear and nonlinear optical properties of [60]fullerene derivatives. AIP Conference Proceedings, 1108:198--204, 2009. [ DOI ]
[22] O. Loboda, R. Zaleśny, A. Avramopoulos, J.-M. Luis, B. Kirtman, N. Tagmatarchis, H. Reis, and M.G. Papadopoulos . Linear and nonlinear optical properties of [60]fullerene derivatives. Journal of Physical Chemistry A, 113(6):1159--1170, 2009. IF2009: 2.899 (Q2). [ DOI ]
[21] Z. Czyżnikowska and R. Zaleśny . Theoretical insights into the nature of intermolecular interactions in cytosine dimer. Biophysical Chemistry, 139(2-3):137--143, 2009. IF2009: 2.276 (Q2). [ DOI ]
[20] P. Krawczyk, A. Kaczmarek , R. Zaleśny, K. Matczyszyn, W. Bartkowiak, M. Ziółkowski, and P. Cysewski. Linear and nonlinear optical properties of azobenzene derivatives. Journal of Molecular Modeling, 15(6):581--590, 2009. IF2009: 2.336 (Q1). [ DOI ]
[19] Z. Czyżnikowska , P. Lipkowski, R.W. Góra, R. Zaleśny, and A.C. Cheng. On the nature of intermolecular interactions in nucleic acid base-amino acid side-chain complexes. Journal of Physical Chemistry B, 113(33):11511--11520, 2009. IF2009: 3.471 (Q2). [ DOI ]
[18] Z. Czyżnikowska, R. Zaleśny, and P. Cysewski . Quantum chemical study of the nature of stacking interactions of 2-oxo-adenine with native b-dna purines. Polish Journal of Chemistry, 82(12):2269--2279, 2008. IF2008: 0.518 (Q4).
[17] R. Zaleśny , M.G. Papadopoulos, W. Bartkowiak, and A. Kaczmarek. On the electron correlation effects on electronic and vibrational hyperpolarizability of merocyanine dyes. Journal of Chemical Physics, 129(13), 2008. IF2008: 3.149 (Q1). [ DOI ]
[16] P. Cysewski , Z. Czyżnikowska, R. Zaleśny, and P. Czeleń. The post-scf quantum chemistry characteristics of the guanine-guanine stacking b-dna. Physical Chemistry Chemical Physics, 10(19):2665--2672, 2008. IF2008: 4.064 (Q1). [ DOI ]
[15] Z. Czyżnikowska , R. Zaleśny, M. Ziółkowski, R.W. Gora, and P. Cysewski. The nature of interactions in uracil dimer: An ab initio study. Chemical Physics Letters, 450(1-3):132--137, 2007. IF2007: 2.207 (Q2). [ DOI ]
[14] A. Kaczmarek , R. Zaleśny, and W. Bartkowiak. On the influence of confinement effects on electric properties: An ab initio study. Chemical Physics Letters, 449(4-6):314--318, 2007. IF2007: 2.207 (Q2). [ DOI ]
[13] R. Zaleśny , W. Bartkowiak, P. Toman, and J. Leszczynski. Computational insight into relations between electronic and vibrational polarizabilities within the two-state valence-bond charge-transfer model. Chemical Physics, 337(1-3):77--80, 2007. IF2007: 1.805 (Q2). [ DOI ]
[12] R. Zaleśny , K. Matczyszyn, A. Kaczmarek, W. Bartkowiak, and P. Cysewski. Experimental and theoretical investigations of spectroscopic properties of azobenzene derivatives in solution. Journal of Molecular Modeling, 13(6-7):785--791, 2007. IF2007: 1.669 (Q1). [ DOI ]
[11] W. Bartkowiak and R. Zaleśny. Sos methods in calculations of electronic nlo properties. In M. G. Papadopoulos, A. J. Sadlej, and J. Leszczynski, editors, Non-Linear Optical Properties of Matter, volume 1 of Challenges and Advances in Computational Chemistry and Physics, pages 129--150. Springer Netherlands, 2006. [ DOI ]
[10] P. Toman, W. Bartkowiak, S. Nespurek, J. Sworakowski , and R. Zaleśny. Quantum-chemical insight into the design of molecular optoelectrical switch. Chemical Physics, 316(1-3):267--278, 2005. IF2005: 1.934 (Q2). [ DOI ]
[9] R. Zaleśny and W. Bartkowiak. Performance of the reduced-size polarized z3polx basis set in calculations of vibrational polarizabilities, infrared, and raman intensities: Application to formaldehyde molecule. International Journal of Quantum Chemistry, 104(5):660--666, 2005. IF2005: 1.192 (Q2). [ DOI ]
[8] W. Bartkowiak , W. Niewodniczański, T. Misiaszek, and R. Zaleśny. First-order hyperpolarizability of pyridinium n-phenolate betaine dye: Ab initio study. Chemical Physics Letters, 411(1-3):8--13, 2005. IF2005: 2.438 (Q2). [ DOI ]
[7] R. Zaleśny, A.J. Sadlej , and J. Leszczynski. Size-nonextensive contributions in singles-only ci. Structural Chemistry, 15(5):379--384, 2004. IF2004: 0.833 (Q3). [ DOI ]
[6] R. Zaleśny , W. Bartkowiak, and J. Leszczynski. Theoretical study of the two-photon absorption in photochromic fulgides. Journal of Luminescence, 105(2-4):111--116, 2003. IF2003: 1.314 (Q2). [ DOI ]
[5] R. Zaleśny, W. Bartkowiak, and B. Champagne . Ab initio calculations of doubly resonant sum-frequency generation second-order polarizabilities of lih. Chemical Physics Letters, 380(5-6):549--555, 2003. IF2003: 2.438 (Q1). [ DOI ]
[4] W. Bartkowiak , R. Zaleśny , and J. Leszczynski. Relation between bond-length alternation and two-photon absorption of a push-pull conjugated molecules: A quantum-chemical study. Chemical Physics, 287(1-2):103--112, 2003. IF2003: 2.070 (Q2). [ DOI ]
[3] W. Bartkowiak , R. Zaleśny, M. Kowal, and J. Leszczynski. The influence of the solute/solvent interactions on the first-order hyperpolarizability in urea molecule. a quantum chemical study. Chemical Physics Letters, 362(3-4):224--228, 2002. IF2002: 2.526 (Q1). [ DOI ]
[2] R. Zaleśny, W. Bartkowiak , S. Styrcz, and J. Leszczynski. Solvent effects on conformationally induced enhancement of the two-photon absorption cross section of a pyridinium-n-phenolate betaine dye. a quantum chemical study. Journal of Physical Chemistry A, 106(16):4032--4037, 2002. IF2002: 2.765 (Q1). [ DOI ]
[1] W. Bartkowiak , R. Zaleśny, W. Niewodniczański, and J. Leszczynski. Quantum chemical calculations of the first- and second-order hyperpolarizabilities of molecules in solutions. Journal of Physical Chemistry A, 105(47):10702--10710, 2001. IF2001: 2.630 (Q1). [ DOI ]