Boča R - Search Results

1

Molecular properties of linear amino acids in water.

Boča R, Imrich R, Štofko J, Vranovičová B, Rajnák C. Boča R, et al. Amino Acids. 2024 Feb 1;56(1):5. doi: 10.1007/s00726-023-03365-3. Amino Acids. 2024. PMID: 38300332 Free PMC article.

2

Ab initio study of molecular properties of l-tyrosine.

Boča R, Štofko J, Imrich R. Boča R, et al. J Mol Model. 2023 Jul 13;29(8):245. doi: 10.1007/s00894-023-05648-8. J Mol Model. 2023. PMID: 37442864 Free PMC article.

3

Electronic structure and molecular properties of nitisinone and mesotrione in water.

Imrich R, Štofko J, Boča R, Rajnák C. Imrich R, et al. Among authors: boca r. J Mol Model. 2023 Nov 13;29(12):370. doi: 10.1007/s00894-023-05780-5. J Mol Model. 2023. PMID: 37953387 Free PMC article.

4

A heptanuclear {Dy₂Cu₅} complex as a single-molecule magnet.

Mičová R, Rajnák C, Titiš J, Moncoľ J, Nováčiková J, Bieńko A, Boča R. Mičová R, et al. Among authors: boca r. Dalton Trans. 2024 Mar 12;53(11):5147-5151. doi: 10.1039/d3dt03811d. Dalton Trans. 2024. PMID: 38380676

5

Large Magnetic Anisotropy in Mono- and Binuclear cobalt(II) Complexes: The Role of the Distortion of the Coordination Sphere in Validity of the Spin-Hamiltonian Formalism.

Choroba K, Palion-Gazda J, Machura B, Bieńko A, Wojtala D, Bieńko D, Rajnák C, Boča R, Ozarowski A, Ozerov M. Choroba K, et al. Among authors: boca r. Inorg Chem. 2024 Jan 15;63(2):1068-1082. doi: 10.1021/acs.inorgchem.3c03405. Epub 2024 Jan 2. Inorg Chem. 2024. PMID: 38166196

6

Magnetic properties of a europium(III) complex - possible multiplet crossover.

Mičová R, Bielková Z, Rajnák C, Titiš J, Moncoľ J, Bieńko A, Boča R. Mičová R, et al. Among authors: boca r. Dalton Trans. 2024 Jan 23;53(4):1492-1496. doi: 10.1039/d3dt03901c. Dalton Trans. 2024. PMID: 38131466

7

Effect of Solvation on Glycine Molecules: A Theoretical Study.

Boča R, Štofko J, Imrich R. Boča R, et al. ACS Omega. 2023 Jul 25;8(31):28577-28582. doi: 10.1021/acsomega.3c02972. eCollection 2023 Aug 8. ACS Omega. 2023. PMID: 37576642 Free PMC article.

8

Limitations on the D-Parameter in Ni(II) Complexes.

Titiš J, Rajnák C, Boča R. Titiš J, et al. Among authors: boca r. J Phys Chem A. 2023 Aug 10;127(31):6412-6424. doi: 10.1021/acs.jpca.3c02543. Epub 2023 Jul 26. J Phys Chem A. 2023. PMID: 37494700

9

Easy-axis magnetic anisotropy in tetragonally elongated cobalt(II) complexes beyond the spin-Hamiltonian formalism.

Mičová R, Rajnák C, Titiš J, Bieńko A, Moncoľ J, Samoľová E, Boča R. Mičová R, et al. Among authors: boca r. Dalton Trans. 2023 Jun 13;52(23):7885-7892. doi: 10.1039/d3dt00990d. Dalton Trans. 2023. PMID: 37212455

10

Possible Violation of the Spin-Hamiltonian Concept in Interpreting the Zero-Field Splitting.

Boča R, Rajnák C, Titiš J. Boča R, et al. J Phys Chem A. 2023 Apr 13;127(14):3256-3264. doi: 10.1021/acs.jpca.3c00599. Epub 2023 Mar 30. J Phys Chem A. 2023. PMID: 36996307

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