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
| [128] |
R. Sarkar, C. Naim, K. Ahmadzadeh, R. Zaleśny, D. Jacquemin and J. M. Luis.
Simulations of two-photon absorption spectra of fluorescent dyes: The impact of non-Condon effects.
Journal of Chemical Theory and Computation, 00:00-00, 2025.
(accepted)
[ DOI ]
|
| [127] |
A. Iglesias-Reguant, I. Barańska, D. Plażuk, R. Zaleśny, J. M. Luis and B. Ośmiałowski.
Isoelectronic push–pull fluorescent difluoroborates: halogen bonding and photophysical properties.
Journal of Organic Chemistry, 90:2790–2799, 2025.
IF2023: 3.3 (Q1).
[ DOI ]
|
| [126] |
B. Bramantya, B. Ośmiałowski, and R. Zaleśny.
Computational insights into two-photon absorption of centrosymmetric organoboron complexes.
Chemical Physics Letters, 864:141907, 2025.
IF2023: 2.8 (Q1).
[ DOI ]
|
| [125] |
A. Hajda, E. F. Petrusevich, R. Zaleśny, B. Ośmiałowski, and
J. Olesiak-Bańska.
Novel O,N,O-coordinated organofluoroboron probe for amyloid
detection: Insight from experiment and theory.
ChemComm, 61:3990-3993, 2025.
IF2023: 4.3 (Q2).
[ DOI ]
|
| [124] |
C. Naim, R. Zaleśny, and D. Jacquemin.
Two-photon absorption strengths of small molecules: Reference CC3
values and benchmarks.
Journal of Chemical Theory and Computation, 20:9093-9106,
2024.
IF2023: 5.7 (Q1).
[ DOI ]
|
| [123] |
E. F. Petrusevich, H. Reis, B. Ośmiałowski, 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, 26:13239-13250, 2024.
IF2023: 2.9 (Q1).
[ DOI ]
|
| [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, 20:3144-3153,
2024.
IF2023: 5.7 (Q1).
[ DOI ]
|
| [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.
IF2023: 4.9 (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.
IF2023: 3.3 (Q2).
[ DOI ]
|
| [119] |
A. Hajda, A. Grelich-Mucha, P. Rybczyński, B. Ośmiałowski,
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.
IF2023: 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.
IF2023: 2.9 (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.
IF2023: 2.7 (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.
IF2023: 4.2 (Q2).
[ DOI ]
|
| [115] |
A. Iglesias-Reguant, H. Reis, M. Medved, B. Ośmiałowski,
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.
IF2023: 2.9 (Q1).
[ DOI ]
|
| [114] |
E. F. Petrusevich, M. H. E. Bousquet, B. Ośmiałowski, 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.
IF2023: 5.7 (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.
IF2023: 2.8 (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.
IF2023: 2.9 (Q1).
[ DOI ]
|
| [111] |
E. F. Petrusevich, M. Glodek, M. A. Antoniak, T. Muziol, D. Plażuk,
A. Siomra, M. Nyk, B. Ośmiałowski, and R. Zaleśny.
Difluoroborate-based bichromophores: Symmetry relaxation and
two-photon absorption.
Spectrochimica Acta Part A: Molecular and Biomolecular
Spectroscopy, 295:122600, 2023.
IF2023: 4.3 (Q1).
[ DOI ]
|
| [110] |
C. Naim, P. Besalu-Sala, R. Zaleśny, J. M. Luis, F. Castet, and
E. 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.
IF2023: 5.7 (Q1).
[ DOI ]
|
| [109] |
T. Hrivnák, M. Medveď, W. Bartkowiak, and R. Zaleśny.
Hyperpolarizabilities of push-pull chromophores in solution:
Interplay between electronic and vibrational contributions.
Molecules, 27:8738, 2022.
IF2022: 4.6 (Q2).
[ DOI ]
|
| [108] |
A. Iglesias-Reguant, J. Zielak-Milewska, T. Misiaszek, R. Zaleśny, J. M.
Luis, and B. Ośmiałowski.
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] |
K. Kamińska, D. Iwan, A. Iglesias-Reguant, W. Spalek, M. Daszkiewicz,
A. Sobolewska, R. Zaleśny, E. Wojaczyńska, and S. 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] |
I. Knysh, M. Bin Jassar, B. Ośmiałowski, R. Zaleśny, and
D. 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] |
B. Krajewski, S. S. Rajput, M. Choluj, E. Wojaczyńska, A. Miniewicz,
Md. M. Alam, and R. 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] |
M. Choluj, Md. M. Alam, M. T. P. Beerepoot, S. P. Sitkiewicz, E. Matito,
K. Ruud, and R. 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] |
M. Choluj, R. Behera, E. F. Petrusevich, W. Bartkowiak, Md. M. Alam, and
R. 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] |
M. Choluj, J. M. Luis, W. Bartkowiak, and R. Zaleśny.
Infrared spectra of hydrogen-bonded molecular complexes under spatial
confinement.
Frontiers in Chemistry, 9:801426, 2022.
IF2022: 5.5 (Q2).
[ DOI ]
|
| [100] |
I. Knysh, A. Kozakiewicz-Piekarz, A. Wojtczak, D. Plażuk, G. Baryshnikov,
R. Valiev, R. Nasibullin, H. Ågren, D. Jacquemin, B. Ośmiałowski,
and R. 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] |
B. Ośmiałowski, E. F. Petrusevich, K. Nawrot, B. Paszkiewicz, M. Nyk,
J. Zielak, B. Jedrzejewska, J. M. Luis, D. Jacquemin, and
R. 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] |
T. N. Moshkina, E. V. Nosova, G. N. Lipunova, M. S. Valova, E. F. Petrusevich,
R. Zaleśny, B. Ośmiałowski, 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] |
E. F. Petrusevich, B. Ośmiałowski, R. Zaleśny, and Md. M. 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] |
B. Ośmiałowski, E. F. Petrusevich, M. A. Antoniak, I. Grela, M. A.
Bin Jassar, M. Nyk, J. M. Luis, B. Jedrzejewska, R. Zaleśny, and
D. 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] |
T. Hrivnák, H. Reis, P. Neogrády, R. Zaleśny, and M. 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. A. Murugan and R. 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] |
D. C. Mayer, J. K. Zareba, G. Raudaschl-Sieber, A. Pöthig,
M. Choluj, R. Zaleśny, M. Samoć, and R. 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] |
R. Zaleśny, M. Md. Alam, P. N. Day, K. A. Nguyen, R. Pachter, C.-K. Lim,
P. N. Prasad, and H. 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] |
T.-A. Tran and R. 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] |
C.-K. Lim, M. Maldonado, R. Zaleśny, R. Valiev, H. Ågren, A. S. L.
Gomes, J. Jiang, R. Pachter, and P. 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, 30:1909375, 2020.
IF2020: 18.808 (Q1).
[ DOI ]
|
| [89] |
T. N. Moshkina, E. V. Nosova, A. E. Kopotilova, G. N. Lipunova, M. S. Valova,
L. K. Sadieva, D. S. Kopchuk, P. A. Slepukhin, R. Zaleśny,
B. Ośmiałowski, and V. 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, 9:673-681, 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. Ośmiałowski, 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. Ośmiałowski,
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. Ośmiałowski .
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. Ośmiałowski .
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, 80:2072-2080, 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, 119:1515-1522, 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. A. 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, 4:4447, 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, 10:778-788, 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, 14:3731-3739, 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, 117:12013-12019, 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, 99:957-965, 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, 9:3463-3472, 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, 34:1775-1784, 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, 4:1753-1759, 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, 15:6001-6007, 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] |
Łączkowski K., Ż. 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, 34:819-826, 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, 34:275-283, 2013.
IF2013: 3.601 (Q1).
[ DOI ]
|
| [43] |
Ż. 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, 116:14677-14688, 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, 137:094307, 2012.
IF2012: 3.164 (Q1).
[ DOI ]
|
| [39] |
M.M. Mikołajczyk , Ż. 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@C28.
Journal of Physical Chemistry A, 115:10370-10381, 2011.
IF2011: 2.946 (Q2).
[ DOI ]
|
| [37] |
M. M. Mikołajczyk, R. Zaleśny, Ż. 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, 17:2143-2149, 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, 109:103529, 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, 115:4691-4700, 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, 32:908-914, 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, 133:244308, 2010.
IF2010: 2.921 (Q1).
[ DOI ]
|
| [32] |
Ż. 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] |
Ż. 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, 114:9629-9644, 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, 114:3466-3470, 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, 12:373-381, 2010.
IF2010: 3.454 (Q1).
[ DOI ]
|
| [28] |
Ż. 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] |
Ż. 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, 480:37-40, 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, 479:52-55, 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, 907:46-50, 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, 113:1159-1170, 2009.
IF2009: 2.899 (Q2).
[ DOI ]
|
| [21] |
Ż. Czyżnikowska and R. Zaleśny .
Theoretical insights into the nature of intermolecular interactions
in cytosine dimer.
Biophysical Chemistry, 139:137-143, 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, 15:581-590, 2009.
IF2009: 2.336 (Q1).
[ DOI ]
|
| [19] |
Ż. 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, 113:11511-11520, 2009.
IF2009: 3.471 (Q2).
[ DOI ]
|
| [18] |
Ż. 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, 82:2269-2279, 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, 129:134310, 2008.
IF2008: 3.149 (Q1).
[ DOI ]
|
| [16] |
P. Cysewski , Ż. Czyżnikowska, R. Zaleśny, and P. Czeleń.
The post-SCF quantum chemistry characteristics of the
guanine-guanine stacking B-DNA.
Physical Chemistry Chemical Physics, 10:2665-2672, 2008.
IF2008: 4.064 (Q1).
[ DOI ]
|
| [15] |
Ż. 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, 450:132-137, 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, 449:314-318, 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, 337:77-80, 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, 13:785-791, 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, 316:267-278, 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, 104:660-666, 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, 411:8-13, 2005.
IF2005: 2.438 (Q2).
[ DOI ]
|
| [7] |
R. Zaleśny, A.J. Sadlej , and J. Leszczynski.
Size-nonextensive contributions in singles-only CI.
Structural Chemistry, 15:379-384, 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, 105:111-116, 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, 380:549-555, 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, 287:103-112, 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, 362:224-228, 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, 106:4032-4037, 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, 105:10702-10710, 2001. IF2001: 2.630 (Q1). [ DOI ] |