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Interpretation of indirect nuclear spin-spin couplings in isomers of adenine: Novel approach to analyze coupling electron deformation density using localized molecular orbitals
Title Interpretation of indirect nuclear spin-spin couplings in isomers of adenine: Novel approach to analyze coupling electron deformation density using localized molecular orbitals Author Marek Radek Co-authors Křístková Anežka SAVANOCH - Ústav anorganickej chémie SAV Maliňáková Kateřina Toušek Jaromír Marek Jaromír Hocek Michal Malkina Oľga 1956 SAVANOCH - Ústav anorganickej chémie SAV ORCID Malkin Vladimír 1956 SAVANOCH - Ústav anorganickej chémie SAV ORCID Source document Journal of physical chemistry A. Vol. 114, no. 24 (2010), p. 6689-6700, Molecules, spectroscopy, kinetics, environment, and general theory Language eng - English Country US - United States of America Document kind rozpis článkov z periodík (rbx) Citations MALI, K.S. - LAVA, K. - BINNEMANS, K. - FEYTER, S. Hydrogen Bonding Versus van der Waals Interactions: Competitive Influence of Noncovalent Interactions on 2D Self-Assembly at the Liquid-Solid Interface. In CHEMISTRY-A EUROPEAN JOURNAL. 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Theoretical aspects of indirect spin-spin couplings. In NUCLEAR MAGNETIC RESONANCE, VOL 41. ISSN 0305-9804, 2012, vol. 41, no., pp. 119. HOYVIK, Ida-Marie - JANSIK, Branislav - JORGENSEN, Poul. Pipek-Mezey localization of occupied and virtual orbitals. In JOURNAL OF COMPUTATIONAL CHEMISTRY. ISSN 0192-8651, 2013, vol. 34, no. 17, pp. 1456. GARCIA DE LA VEGA, J. M. - SAN FABIAN, J. - CONTRERAS, RH. Analysis of Contributions to Spin-Spin Coupling Constants by the Natural J-Coupling Method. In HIGH RESOLUTION NMR SPECTROSCOPY: UNDERSTANDING MOLECULES AND THEIR ELECTRONIC STRUCTURES. ISSN 1875-4023, 2013, vol., no., pp. 161. CONTRERAS, Ruben H. - TORMENA, Claudio F. - DUCATI, Lucas C. - CONTRERAS, RH. Transmission Mechanisms of the Fermi-Contact Term of Spin-Spin Couplings. In HIGH RESOLUTION NMR SPECTROSCOPY: UNDERSTANDING MOLECULES AND THEIR ELECTRONIC STRUCTURES. ISSN 1875-4023, 2013, vol., no., pp. 245. DRACINSKY, Martin - POHL, Radek. NMR Studies of Purines. In ANNUAL REPORTS ON NMR SPECTROSCOPY, VOL 82. ISSN 0066-4103, 2014, vol. 82, no., pp. 59. ANDERSSON, Hanna - CARLSSON, Anna-Carin C. - NEKOUEISHAHRAKI, Bijan - BRATH, Ulrika - ERDELYI, Mate. Solvent Effects on Nitrogen Chemical Shifts. In ANNUAL REPORTS ON NMR SPECTROSCOPY. ISSN 0066-4103, 2015, vol. 86, no., pp. 73. HOYVIK, Ida-Marie - JORGENSEN, Poul. Characterization and Generation of Local Occupied and Virtual Hartree-Fock Orbitals. In CHEMICAL REVIEWS. ISSN 0009-2665, 2016, vol. 116, no. 5, pp. 3306-3327. KOCIOK-KOEHN, Gabriele - MOLLOY, Kieran C. - PRICE, Gareth J. - SMITH, Douglas R. G. The Structures of Uncommon Cationic N-alkenyl Purine and Pyrimidine Bases. In JOURNAL OF HETEROCYCLIC CHEMISTRY. ISSN 0022-152X, 2016, vol. 53, no. 1, pp. 64-68. MARTINEZ, Fernando A. - AUCAR, Gustavo A. Intermolecular magnetic interactions in stacked DNA base pairs. In PHYSICAL CHEMISTRY CHEMICAL PHYSICS. ISSN 1463-9076, 2017, vol. 19, no. 40, pp. 27817-27827. BUYENS, Dominique M. S. - MANGONDO, Paidamwoyo - CUKROWSKI, Ignacy - PILCHER, Lynne A. Solvent-directed Regioselective Benzylation of Adenine: Characterization of N9-benzyladenine and N3-benzyladenine. In JOURNAL OF HETEROCYCLIC CHEMISTRY. ISSN 0022-152X, 2017, vol. 54, no. 5, pp. 2946-2950. EUGENIA GARCIA-RUBINO, Maria - BARCELO-OLIVER, Miguel - CASTINEIRAS, Alfonso - DOMINGUEZ-MARTIN, Alicia. Probing the effect of N-alkylation on the molecular recognition abilities of the major groove N7-binding site of purine ligands. In JOURNAL OF INORGANIC BIOCHEMISTRY. ISSN 0162-0134, 2019, vol. 200, no., pp. OLIVEIRA, Joao P. C. - RIVELINO, Roberto. Close Relationships between NMR J-Coupling Alternation (JCA) and Molecular Properties of Carbon Chains. In JOURNAL OF CHEMICAL THEORY AND COMPUTATION. ISSN 1549-9618, 2019, vol. 15, no. 3, pp. 1605-1615. KOMOROVSKY, Stanislav - JAKUBOWSKA, Katarzyna - SWIDER, Pawel - REPISKY, Michal - JASZUNSKI, Michal. NMR Spin-Spin Coupling Constants Derived from Relativistic Four-Component DFT Theory-Analysis and Visualization. In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, 2020, vol. 124, no. 25, pp. 5157-5169. Dostupné na: https://doi.org/10.1021/acs.jpca.0c02807. Category ADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted) Category of document (from 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Type of document článok Year 2010 Registered in WOS Registered in SCOPUS Registered in CCC DOI 10.1021/jp102186r 
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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) 2010 2009 2.899 Q2 1.589 Q1
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