Chołuj M - Search Results

1

Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations.

Chołuj M, Alam MM, Beerepoot MTP, Sitkiewicz SP, Matito E, Ruud K, Zaleśny R. Chołuj M, et al. J Chem Theory Comput. 2022 Feb 8;18(2):1046-1060. doi: 10.1021/acs.jctc.1c01056. Epub 2022 Jan 26. J Chem Theory Comput. 2022. PMID: 35080389 Free PMC article.

2

Much of a Muchness: On the Origins of Two- and Three-Photon Absorption Activity of Dipolar Y-Shaped Chromophores.

Chołuj M, Behera R, Petrusevich EF, Bartkowiak W, Alam MM, Zaleśny R. Chołuj M, et al. J Phys Chem A. 2022 Feb 10;126(5):752-759. doi: 10.1021/acs.jpca.1c10098. Epub 2022 Jan 27. J Phys Chem A. 2022. PMID: 35084177 Free PMC article.

3

First-order hyperpolarizabilities of propellanes: elucidating structure-property relationships.

Krajewski B, Rajput SS, Chołuj M, Wojaczyńska E, Miniewicz A, Alam MM, Zaleśny R. Krajewski B, et al. Among authors: choluj m. Phys Chem Chem Phys. 2022 Jun 8;24(22):13534-13541. doi: 10.1039/d2cp00381c. Phys Chem Chem Phys. 2022. PMID: 35612526

4

Two-photon absorption of the spatially confined LiH molecule.

Kozłowska J, Chołuj M, Zaleśny R, Bartkowiak W. Kozłowska J, et al. Among authors: choluj m. Phys Chem Chem Phys. 2017 Mar 15;19(11):7568-7575. doi: 10.1039/c6cp07368a. Phys Chem Chem Phys. 2017. PMID: 28252124

5

Infrared Spectra of Hydrogen-Bonded Molecular Complexes Under Spatial Confinement.

Chołuj M, Luis JM, Bartkowiak W, Zaleśny R. Chołuj M, et al. Front Chem. 2022 Jan 7;9:801426. doi: 10.3389/fchem.2021.801426. eCollection 2021. Front Chem. 2022. PMID: 35071188 Free PMC article.

6

Vibrational nonlinear optical properties of spatially confined weakly bound complexes.

Zaleśny R, Chołuj M, Kozłowska J, Bartkowiak W, Luis JM. Zaleśny R, et al. Among authors: choluj m. Phys Chem Chem Phys. 2017 Sep 13;19(35):24276-24283. doi: 10.1039/c7cp04259k. Phys Chem Chem Phys. 2017. PMID: 28848981

7

On the calculations of the static electronic dipole (hyper)polarizability for the free and spatially confined H.

Chołuj M, Bartkowiak W, Naciążek P, Strasburger K. Chołuj M, et al. J Chem Phys. 2017 May 21;146(19):194301. doi: 10.1063/1.4983064. J Chem Phys. 2017. PMID: 28527470

8

Ab initio effective one-electron potential operators: Applications for charge-transfer energy in effective fragment potentials.

Błasiak B, Bednarska JD, Chołuj M, Góra RW, Bartkowiak W. Błasiak B, et al. Among authors: choluj m. J Comput Chem. 2021 Mar 5;42(6):398-411. doi: 10.1002/jcc.26462. Epub 2020 Dec 21. J Comput Chem. 2021. PMID: 33349929

9

HeH⁺ under Spatial Confinement.

Chołuj M, Lipkowski P, Bartkowiak W. Chołuj M, et al. Molecules. 2022 Dec 16;27(24):8997. doi: 10.3390/molecules27248997. Molecules. 2022. PMID: 36558130 Free PMC article.

10

Fetal and Placental Weight in Pre-Gestational Maternal Obesity (PGMO) vs. Excessive Gestational Weight Gain (EGWG)-A Preliminary Approach to the Perinatal Outcomes in Diet-Controlled Gestational Diabetes Mellitus.

Gujski M, Szukiewicz D, Chołuj M, Sawicki W, Bojar I. Gujski M, et al. Among authors: choluj m. J Clin Med. 2020 Oct 31;9(11):3530. doi: 10.3390/jcm9113530. J Clin Med. 2020. PMID: 33142800 Free PMC article.

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