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Four-component relativistic 31P NMR calculations for trans-platinum(II) complexes: importance of the solvent and dynamics in spectral simulations
Názov Four-component relativistic 31P NMR calculations for trans-platinum(II) complexes: importance of the solvent and dynamics in spectral simulations Autor Castro Abril C. Spoluautori Fliegl Heike Cascella Michele Helgaker Trygve Repiský Michal Komorovský Stanislav 1982 SAVANOCH - Ústav anorganickej chémie SAV ORCID Ángeles Medrano María Quiroga Adoración G. Swart Marcel Zdroj.dok. Dalton Transactions. Vol. 48, no. 23 (2019), p. 8076-8083 Jazyk dok. eng - angličtina Krajina GB - Veľká Británia Druh dok. rozpis článkov z periodík (rbx) Ohlasy DENG, Nanping - LIU, Yong - WANG, Liyuan - LI, Quanxiang - HAO, Yan - FENG, Yang - CHENG, Bowen - KANG, Weimin - ZHU, Wenju. Designing of a Phosphorus, Nitrogen, and Sulfur Three-Flame Retardant Applied in a Gel Poly-m-phenyleneisophthalamide Nanofiber Membrane for Advanced Safety Lithium-Sulfur Batteries. In ACS APPLIED MATERIALS & INTERFACES. ISSN 1944-8244, 2019, vol. 11, no. 40, pp. 36705-36716. BECKER, Peter - WONGLAKHON, Tanakorn - ZAHN, Dirk - GUDAT, Dietrich - NIEWA, Rainer. Approaching Dissolved Species in Ammonoacidic GaN Crystal Growth: A Combined Solution NMR and Computational Study. In CHEMISTRY-A EUROPEAN JOURNAL. ISSN 0947-6539, 2020, vol. 26, no. 31, pp. 7008-7017. Dostupné na: https://doi.org/10.1002/chem.201904657. PAYARD, Pierre-Adrien - PEREGO, Luca Alessandro - GRIMAUD, Laurence - CIOFINI, Ilaria. A DFT Protocol for the Prediction of P-31 NMR Chemical Shifts of Phosphine Ligands in First-Row Transition-Metal Complexes. In ORGANOMETALLICS. ISSN 0276-7333, 2020, vol. 39, no. 17, pp. 3121-3130. Dostupné na: https://doi.org/10.1021/acs.organomet.0c00309. RAYNAUD, Christophe - NORBERT-AGAISSE, Eliott - JAMES, Brian R. - EISENSTEIN, Odile. P-31 Chemical Shifts in Ru(II) Phosphine Complexes. A Computational Study of the Influence of the Coordination Sphere. In INORGANIC CHEMISTRY. ISSN 0020-1669, 2020, vol. 59, no. 23, pp. 17038-17048. Dostupné na: https://doi.org/10.1021/acs.inorgchem.0c02256. BATISTA, Patrick R. - DUCATI, Lucas C. - AUTSCHBACH, Jochen. Solvent effect on the Pt-195 NMR properties in pyridonate-bridged Pt-III dinuclear complex derivatives investigated by ab initio molecular dynamics and localized orbital analysis. In PHYSICAL CHEMISTRY CHEMICAL PHYSICS. ISSN 1463-9076, 2021, vol. 23, no. 22, pp. 12864-12880. Dostupné na: https://doi.org/10.1039/d0cp05849a. MORALES-GUEVARA, Rosaly - FUENTES, Juan A. - PAEZ-HERNANDEZ, Dayan - CARRENO, Alexander. The role of substituted pyridine Schiff bases as ancillary ligands in the optical properties of a new series of fac-rhenium(i) tricarbonyl complexes: a theoretical view. In RSC ADVANCES, 2021, vol. 11, no. 59, pp. 37181-37193. Dostupné na: https://doi.org/10.1039/d1ra05737e. KUPKA, Teobald. Theory and computation of nuclear shielding. In Nuclear Magnetic Resonance, 2021-01-01, 46, pp. 1-33. ISSN 03059804. Dostupné na: https://doi.org/10.1039/9781788010665-00001. RODRíGUEZ-MAYORGA, M. - KEIZER, D. - GIESBERTZ, K.J.H. - VISSCHER, L. Relativistic effects on electronic pair densities: A perspective from the radial intracule and extracule probability densities. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, NOV 21 2022, vol. 157, no. 19. Dostupné na: https://doi.org/10.1063/5.0127190. LIU, Ya Qin - YU, Ming Xin - HE, Ling. Application progress of nuclear magnetic resonance in pharmaceutical detection. In Tianran Chanwu Yanjiu yu Kaifa, 2022-11-28, 34, 11, pp. 1971-1977. ISSN 10016880. Dostupné na: https://doi.org/10.16333/j.1001-6880.2022.11.018. Kategória ADCA - Vedecké práce v zahraničných karentovaných časopisoch impaktovaných Kategória (od 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Typ výstupu článok Rok vykazovania 2019 Registrované v WOS Registrované v SCOPUS Registrované v CCC DOI 10.1039/c9dt00570f 
článok
rok CC IF IF Q (best) JCR Av Jour IF Perc SJR SJR Q (best) CiteScore A rok vydania rok metriky IF IF Q (best) SJR SJR Q (best) 2019 2018 4.052 Q1 1.120 Q1
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