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Understanding structure and bonding in early actinide 6d05f0 MX6q (M = Th-Np; X = H, F) complexes in comparison with their transition metal 5d0 analogues
Názov Understanding structure and bonding in early actinide 6d05f0 MX6q (M = Th-Np; X = H, F) complexes in comparison with their transition metal 5d0 analogues Autor Straka Michal Spoluautori Hrobárik Peter SAVANOCH - Ústav anorganickej chémie SAV Kaupp Martin Zdroj.dok. Journal of the American Chemical Society. Vol. 127, no. 8 (2005), p. 2591-2599 Jazyk dok. eng - angličtina Druh dok. rozpis článkov z periodík (rbx) Ohlasy PETIT, L. - DAUL, C. - ADAMOB, C. - MALDIVI, P. DFT modeling of the relative affinity of nitrogen ligands for trivalent f elements: an energetic point of view. In NEW JOURNAL OF CHEMISTRY. ISSN 1144-0546, OCT 2007, vol. 31, no. 10, p. 1738-1745. RAAB, J. - LINDH, R.H. - WANG, X.F. - ANDREWS, L. - GAGLIARDI, L. A combined experimental and theoretical study of uranium polyhydrides with new evidence for the large complex UH4(H-2)(6). In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, JUL 19 2007, vol. 111, no. 28, p. 6383-6387. DOGNON, J.P. - CLAVAGUERA, C. - PYYKKO, P. Towards a 32-electron principle: Pu@Pb-12 and related systems. In ANGEWANDTE CHEMIE-INTERNATIONAL EDITION. ISSN 1433-7851, 2007, vol. 46, no. 9, p. 1427-1430. CRUZ, C.A. - EMSLIE, D.J.H. - HARRINGTON, L.E. - BRITTEN, J.F. - ROBERTSON, C.M. Extremely stable thorium(IV) dialkyl complexes supported by rigid tridentate 4,5-bis(anilido)xanthene and 2,6-bis(anilidomethyl)pyridine ligands. In ORGANOMETALLICS. ISSN 0276-7333, JAN 29 2007, vol. 26, no. 3, p. 692-701. SIBOULET, B. - MARSDEN, C.J. - VITORGE, P. What can quantum chemistry tell us about Pa(v) hydration and hydrolysis?. In NEW JOURNAL OF CHEMISTRY. ISSN 1144-0546, 2008, vol. 32, no. 12, p. 2080-2094. WANG, X.F. - ANDREWS, L. Infrared spectra, structure, and bonding of the group 6 and ammonia M : NH3, H2N-MH, and N MH3 reaction products in solid argon. In ORGANOMETALLICS. ISSN 0276-7333, OCT 13 2008, vol. 27, no. 19, p. 4885-4891. XIAO, H. - LI, J. Benchmark calculations on the atomization enthalpy, geometry and vibrational frequencies of UF6 with relativistic DFT methods. In CHINESE JOURNAL OF STRUCTURAL CHEMISTRY. ISSN 0254-5861, 2008, vol. 27, no. 8, p. 967-974. CAO, X.Y. - MORITZ, A. - DOLG, M. All-electron Douglas-Kroll-Hess and pseudopotential study on the low-lying states of uranium hydride UH. In CHEMICAL PHYSICS. ISSN 0301-0104, JAN 29 2008, vol. 343, no. 2-3, p. 250-257. WANG, X.F. - ANDREWS, L. Infrared Spectra and Density Functional Calculations for SMO2 Molecules (M = Cr, Mo, W). In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, AUG 6 2009, vol. 113, no. 31, p. 8934-8941. MARON, L. - EISENSTEIN, O. - ANDERSEN, R.A. The Bond between CO and Cp ' U-3 in Cp ' U-3(CO) Involves Back-bonding from the Cp ' U-3 Ligand-Based Orbitals of pi-Symmetry, where Cp ' Represents a Substituted Cyclopentadienyl Ligand. In ORGANOMETALLICS. ISSN 0276-7333, JUL 13 2009, vol. 28, no. 13, p. 3629-3635. AUTSCHBACH, J. - ZHENG, S. Chapter 1 Relativistic Computations of NMR Parameters from First Principles: Theory and Applications. In Annual Reports on NMR Spectroscopy, 2009, vol.67, 1-95. SHARMA, M. - BOTOSHANSKII, M. - BANNENBERG, T. - TAMM, M. - EISEN, M.S. Synthesis and structure determination of a stable organometallic uranium(v) imine complex and its isolobal anionic U(IV)-ate complex. In COMPTES RENDUS CHIMIE. ISSN 1631-0748, JUN-JUL 2010, vol. 13, no. 6-7, SI, p. 767-774. BUZ'KO, V.Y. - KUSHKHOV, K.B. - BUZ'KO, M.B. Ab initio study of the structure and stability of ThF (n) ((4-n)+) complexes (n=1-8). In RUSSIAN JOURNAL OF INORGANIC CHEMISTRY. ISSN 0036-0236, MAR 2010, vol. 55, no. 3, p. 395-400. RABINOVICH, E. - AHARONOVICH, S. - BOTOSHANSKY, M. - EISEN, M.S. Thorium 2-pyridylamidinates: Synthesis, structure and catalytic activity towards the cyclo-oligomerization of epsilon-caprolactone. In DALTON TRANSACTIONS, 2010, vol. 39, no. 29, p. 6667-6676. FORTIER, Skye - WALENSKY, Justin R. - WU, Guang - HAYTON, Trevor W. High-Valent Uranium Alkyls: Evidence for the Formation of U-VI(CH2SiMe3)(6). In JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2011, vol.133, no.30, 11732. WANG, Dongqi - VAN GUNSTEREN, Wilfred F. - CHAI, Zhifang. Recent advances in computational actinoid chemistry. In CHEMICAL SOCIETY REVIEWS. ISSN 0306-0012, 2012, vol. 41, no. 17, pp. 5836. BUZ'KO, V. Yu. - CHUIKO, G. Yu. - KUSHKHOV, Kh. B. Ab Initio Study of the Structure and Stability of AcFn(3-n)+ Complexes (n=1-7). In RUSSIAN JOURNAL OF INORGANIC CHEMISTRY. ISSN 0036-0236, 2012, vol. 57, no. 6, pp. 838. ANTONIO, Mark R. - WILLIAMS, C. W. - SULLIVAN, James A. - SKANTHAKUMAR, S. - HU, Yung-Jin - SODERHOLM, L. Preparation, Stability, and Structural Characterization of Plutonium(VII) in Alkaline Aqueous Solution. In INORGANIC CHEMISTRY. ISSN 0020-1669, 2012, vol. 51, no. 9, pp. 5274. BUZ'KO, V. Yu. - CHUIKO, G. Yu. - KUSHKHOV, Kh. B. DFT Study of the Structure and Stability of Pu(III) and Pu(IV) Chloro Complexes. In RUSSIAN JOURNAL OF INORGANIC CHEMISTRY. ISSN 0036-0236, 2012, vol. 57, no. 1, pp. 62. DOLG, Michael - CAO, Xiaoyan. Relativistic Pseudopotentials: Their Development and Scope of Applications. In CHEMICAL REVIEWS. ISSN 0009-2665, 2012, vol. 112, no. 1, pp. 403. PHUONG DIEM DAU - SU, Jing - LIU, Hong-Tao - HUANG, Dao-Ling - WEI, Fan - LI, Jun - WANG, Lai-Sheng. Photoelectron spectroscopy and theoretical studies of UF5- and UF6-. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2012, vol. 136, no. 19, pp. ZAITSEVSKII, A. V. - TITOV, A. V. - MAL'KOV, S. S. - TANANAEV, I. G. - KISELEV, Yu. M. On the existence of oxide molecules of plutonium in highest oxidation states. In DOKLADY CHEMISTRY. ISSN 0012-5008, 2013, vol. 448, no., pp. 1. SEAMAN, Lani A. - WALENSKY, Justin R. - WU, Guang - HAYTON, Trevor W. In Pursuit of Homoleptic Actinide Alkyl Complexes. In INORGANIC CHEMISTRY. ISSN 0020-1669, 2013, vol. 52, no. 7, pp. 3556. KOVACS, Attila - INFANTE, Ivan - GAGLIARDI, Laura. Theoretic study of the electronic spectra of neutral and cationic PaO and PaO2. In STRUCTURAL CHEMISTRY. ISSN 1040-0400, 2013, vol. 24, no. 3, pp. 917. BüYüKMUMCU, Z. - SELAMPINAR, F. Revisiting UFsub6/sub, NpFsub6/sub and PuF6 for bonding and molecular surface analysis within density functional theory: Comparative study at the different theory levels with the same basis set. In POLYHEDRON. ISSN 0277-5387, NOV 15 2021, vol. 209. Dostupné na: https://doi.org/10.1016/j.poly.2021.115452. ZHANG, W.J. - DEMIREVA, M. - KIM, J. - DE JONG, W.A. - ARMENTROUT, P.B. Reactions of USUP+/SUP with Hsub2/sub, Dsub2/sub, and HD Studied by Guided Ion Beam Tandem Mass Spectrometry and Theory. In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, SEP 16 2021, vol. 125, no. 36, p. 7825-7839. Dostupné na: https://doi.org/10.1021/acs.jpca.1c05409. MARTIN, C.R. - LEITH, G.A. - SHUSTOVA, N.B. Beyond structural motifs: the frontier of actinide-containing metal-organic frameworks. In CHEMICAL SCIENCE. ISSN 2041-6520, JUN 7 2021, vol. 12, no. 21, p. 7214-7230. Dostupné na: https://doi.org/10.1039/d1sc01827b. MELO, G.F.D. - DIXON, D.A. Protactinium and Actinium Monohydrides: A Theoretical Study on Their Spectroscopic and Thermodynamic Properties. In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, SEP 15 2022, vol. 126, no. 36, p. 6171-6184. Dostupné na: https://doi.org/10.1021/acs.jpca.2c04690. Kategória ADCA - Vedecké práce v zahraničných karentovaných časopisoch impaktovaných Kategória (od 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Typ výstupu článok Rok vykazovania 2005 
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) 2005 2004 6.903
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