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Items: 1 to 20 of 41

1.

Unusual binding-site-specific photophysical properties of a benzothiazole-based optical probe in amyloid beta fibrils.

Arul Murugan N, Zaleśny R, Ågren H.

Phys Chem Chem Phys. 2018 Aug 8;20(31):20334-20339. doi: 10.1039/c8cp03274b.

PMID:
30043007
2.

Partitioning of interaction-induced nonlinear optical properties of molecular complexes. I. Hydrogen-bonded systems.

Zaleśny R, Medved' M, Góra RW, Reis H, Luis JM.

Phys Chem Chem Phys. 2018 Aug 1;20(30):19841-19849. doi: 10.1039/c8cp02967a.

PMID:
30033466
3.

Benchmarking the Performance of Exchange-Correlation Functionals for Predicting Two-Photon Absorption Strengths.

Beerepoot MTP, Alam MM, Bednarska J, Bartkowiak W, Ruud K, Zaleśny R.

J Chem Theory Comput. 2018 Jul 10;14(7):3677-3685. doi: 10.1021/acs.jctc.8b00245. Epub 2018 Jun 15.

PMID:
29852067
4.

Nonempirical Simulations of Inhomogeneous Broadening of Electronic Transitions in Solution: Predicting Band Shapes in One- and Two-Photon Absorption Spectra of Chalcones.

Bednarska J, Zaleśny R, Tian G, Murugan NA, Ågren H, Bartkowiak W.

Molecules. 2017 Sep 30;22(10). pii: E1643. doi: 10.3390/molecules22101643.

5.

Vibrational nonlinear optical properties of spatially confined weakly bound complexes.

Zaleśny R, Chołuj M, Kozłowska J, Bartkowiak W, Luis JM.

Phys Chem Chem Phys. 2017 Sep 13;19(35):24276-24283. doi: 10.1039/c7cp04259k.

PMID:
28848981
6.

Quantifying the Performances of DFT for Predicting Vibrationally Resolved Optical Spectra: Asymmetric Fluoroborate Dyes as Working Examples.

Bednarska J, Zaleśny R, Bartkowiak W, Ośmiałowski B, Medved' M, Jacquemin D.

J Chem Theory Comput. 2017 Sep 12;13(9):4347-4356. doi: 10.1021/acs.jctc.7b00469. Epub 2017 Aug 24.

PMID:
28777575
7.

Two-photon absorption of the spatially confined LiH molecule.

Kozłowska J, Chołuj M, Zaleśny R, Bartkowiak W.

Phys Chem Chem Phys. 2017 Mar 15;19(11):7568-7575. doi: 10.1039/c6cp07368a.

PMID:
28252124
8.

Two-photon absorption of BF2-carrying compounds: insights from theory and experiment.

Bednarska J, Zaleśny R, Wielgus M, Jędrzejewska B, Puttreddy R, Rissanen K, Bartkowiak W, Ågren H, Ośmiałowski B.

Phys Chem Chem Phys. 2017 Feb 22;19(8):5705-5708. doi: 10.1039/c7cp00063d.

PMID:
28177027
9.

Photophysical Properties of Phenacylphenantridine Difluoroboranyls: Effect of Substituent and Double Benzannulation.

Grabarz AM, Jędrzejewska B, Zakrzewska A, Zaleśny R, Laurent AD, Jacquemin D, Ośmiałowski B.

J Org Chem. 2017 Feb 3;82(3):1529-1537. doi: 10.1021/acs.joc.6b02732. Epub 2017 Jan 23.

PMID:
28067510
10.

Elucidating the Mechanism of Zn(2+) Sensing by a Bipyridine Probe Based on Two-Photon Absorption.

Bednarska J, Zaleśny R, Arul Murugan N, Bartkowiak W, Ågren H, Odelius M.

J Phys Chem B. 2016 Sep 1;120(34):9067-75. doi: 10.1021/acs.jpcb.6b04949. Epub 2016 Aug 16.

PMID:
27494451
11.

On the physical origins of interaction-induced vibrational (hyper)polarizabilities.

Zaleśny R, Garcia-Borràs M, Góra RW, Medved' M, Luis JM.

Phys Chem Chem Phys. 2016 Aug 10;18(32):22467-77. doi: 10.1039/c6cp02500e.

PMID:
27465257
12.

First-Principles Simulations of One- and Two-Photon Absorption Band Shapes of the Bis(BF2) Core Complex.

Zaleśny R, Murugan NA, Tian G, Medved' M, Ågren H.

J Phys Chem B. 2016 Mar 10;120(9):2323-32. doi: 10.1021/acs.jpcb.5b09726. Epub 2016 Feb 17.

PMID:
26840541
13.

Relation between Nonlinear Optical Properties of Push-Pull Molecules and Metric of Charge Transfer Excitations.

List NH, Zaleśny R, Murugan NA, Kongsted J, Bartkowiak W, Ågren H.

J Chem Theory Comput. 2015 Sep 8;11(9):4182-8. doi: 10.1021/acs.jctc.5b00538. Epub 2015 Aug 4.

PMID:
26575913
14.

Comparison of Property-Oriented Basis Sets for the Computation of Electronic and Nuclear Relaxation Hyperpolarizabilities.

Zaleśny R, Baranowska-Łączkowska A, Medveď M, Luis JM.

J Chem Theory Comput. 2015 Sep 8;11(9):4119-28. doi: 10.1021/acs.jctc.5b00434. Epub 2015 Aug 19.

PMID:
26575907
15.

On the particular importance of vibrational contributions to the static electrical properties of model linear molecules under spatial confinement.

Zaleśny R, Góra RW, Luis JM, Bartkowiak W.

Phys Chem Chem Phys. 2015 Sep 14;17(34):21782-6. doi: 10.1039/c5cp02865e. Epub 2015 Aug 6.

PMID:
26247540
16.

Toward assessment of density functionals for vibronic coupling in two-photon absorption: A case study of 4-nitroaniline.

Zaleśny R, Tian G, Hättig C, Bartkowiak W, Ågren H.

J Comput Chem. 2015 Jun 5;36(15):1124-31. doi: 10.1002/jcc.23903. Epub 2015 Mar 31.

PMID:
25828457
17.

Influence of substituent and benzoannulation on photophysical properties of 1-benzoylmethyleneisoquinoline difluoroborates.

Ośmiałowski B, Zakrzewska A, Jędrzejewska B, Grabarz A, Zaleśny R, Bartkowiak W, Kolehmainen E.

J Org Chem. 2015 Feb 20;80(4):2072-80. doi: 10.1021/jo502244j. Epub 2015 Feb 9.

PMID:
25633740
18.

One- and two-photon absorption of a spiropyran-merocyanine system: experimental and theoretical studies.

Matczyszyn K, Olesiak-Banska J, Nakatani K, Yu P, Murugan NA, Zaleśny R, Roztoczyńska A, Bednarska J, Bartkowiak W, Kongsted J, Ågren H, Samoć M.

J Phys Chem B. 2015 Jan 29;119(4):1515-22. doi: 10.1021/jp5071715. Epub 2015 Jan 9.

PMID:
25531561
19.

Toward fully nonempirical simulations of optical band shapes of molecules in solution: a case study of heterocyclic ketoimine difluoroborates.

Zaleśny R, Murugan NA, Gel'mukhanov F, Rinkevicius Z, Ośmiałowski B, Bartkowiak W, Ågren H.

J Phys Chem A. 2015 May 28;119(21):5145-52. doi: 10.1021/jp5094417. Epub 2014 Dec 5.

PMID:
25418554
20.

Promising two-photon probes for in vivo detection of β amyloid deposits.

Murugan NA, Zaleśny R, Kongsted J, Nordberg A, Ågren H.

Chem Commun (Camb). 2014 Oct 11;50(79):11694-7. doi: 10.1039/c4cc03897e.

PMID:
25141215

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