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Title The molecular mean-field approach for correlated relativistic calculations Par.title Molekulový prístup spriemerovaného poľa pre korelované relativistické výpočty Author info Jetze Sikkema ... [et al.] Author Sikkema Jetze (25%)
Co-authors Visscher Lucas (20%)
Saue Trond (20%)
Iliaš Miroslav 1975- (35%) UMBFP08 - Katedra chémie
Source document The Journal of Chemical Physics. Vol. 131, no. 12 (2009), 124116-124116-9. - New York : American Institute of Physics, 2009 Keywords correlated relativistic calculations projection operators Language English Country United States of America systematics 54 Annotation A new approach for relativistic correlated electron structure calculations is proposed by which a transformation to a two-spinor basis is carried out after solving the four-component relativistic Hartree–Fock equations. Public work category ADC No. of Archival Copy 22500 Repercussion category AUTSCHBACH, Jochen - PENG, Daoling - REIHER, Markus. Two-component relativistic calculations of electric-field gradients using exact decoupling methods : spin-orbit and picture-change effects. In Journal of chemical theory and computation. ISSN 1549-9618, 2012, vol. 8, no. 11, pp. 4239-4248.
LI, Zhendong - XIAO, Yunlong - LIU, Wenjian. On the spin separation of algebraic two-component relativistic Hamiltonians. In Journal of chemical physics. ISSN 0021-9606, 2012, vol. 137, no. 15, article no. 154114.
SEINO, Junji - NAKAI, Hiromi. Local unitary transformation method for large-scale two-component relativistic calculations. II. Extension to two-electron Coulomb interaction. In Journal of chemical physics. ISSN 0021-9606, 2012, vol. 137, no. 14, article no. 144101.
PETERSON, Kirk A. - DIXON, David A. - STOLL, Hermann. The use of explicitly correlated methods on XeF6 predicts a C-3v minimum with a sterically active, free valence electron pair on Xe. In Journal of physical chemistry A. ISSN 1089-5639, 2012, vol. 116, no. 39, pp. 9777-9782.
PENG, Daoling - REIHER, Markus. Local relativistic exact decoupling. In Journal of chemical physics. ISSN 0021-9606, 2012, vol. 136, no. 24, article no. 244108.
SEINO, Junji - NAKAI, Hiromi. Local unitary transformation method for large-scale two-component relativistic calculations : case for a one-electron Dirac Hamiltonian. In Journal of chemical physics. ISSN 0021-9606, 2012, vol. 136, no. 24, article no. 244102.
FLEIG, Timo. Invited review : relativistic wave-function based electron correlation methods. In Chemical physics. ISSN 0301-0104, 2012, vol. 395, pp. 2-15.
PENG, Daoling - REIHER, Markus. Exact decoupling of the relativistic Fock operator. In Theoretical chemistry accounts. ISSN 1432-881X, 2012, vol. 131, no. 1, article o. 1081.
ARCISAUSKAITE, Vaida - KNECHT, Stefan - SAUER, Stephan P. A. - HEMMINGSEN, Lars. Fully relativistic coupled cluster and DFT study of electric field gradients at Hg in Hg-199 compounds. In Physical chemistry chemistry chemical physics. ISSN 1463-9076, 2012, vol. 14, no. 8, pp. 2651-2657.
REIHER, Markus. Relativistic Douglas-Kroll-Hess theory. In Wiley interdisciplinary reviews-computational molecular science. ISSN 1759-0876, 2012, vol. 2, no. 1, pp. 139-149.
CHENG, Lan - GAUSS, Juergen. Analytic second derivatives for the spin-free exact two-component theory. In Journal of chemical physics. ISSN 0021-9606, 2011, vol. 135, no. 24, article no. 244104.
TATEWAKI, Hiroshi - WATANABE, Yoshihiro. Necessity of including the negative energy space in four-component relativistic calculations for accurate solutions. In Chemical physics. ISSN 0301-0104, 2011, vol. 389, no. 1-3, pp. 58-63.
CHENG, Lan - GAUSS, Juergen. Analytic energy gradients for the spin-free exact two-component theory using an exact block diagonalization for the one-electron Dirac Hamiltonian. In Journal of chemical physics. ISSN 0021-9606, 2011, vol. 135, no. 8, article no. 084114.
CHENG, Lan - GAUSS, Juergen. Analytical evaluation of first-order electrical properties based on the spin-free Dirac-Coulomb Hamiltonian. In Journal of chemical physics. ISSN 0021-9606, 2011, vol. 134, no. 24, article no. 244112.
SUN, Qiming - LIU, Wenjian - KUTZELNIGG, Werner. Comparison of restricted, unrestricted, inverse, and dual kinetic balances for four-component relativistic calculations. In Theoretical chemistry accounts. ISSN 1432-881X, 2011, vol. 129, no. 3-5, pp. 423-436.
STOPKOWICZ, Stella - GAUSS, Juergen. Fourth-order relativistic corrections to electrical first-order properties using direct perturbation theory. In Journal of chemical physics. ISSN 0021-9606, 2011, vol. 134, no. 20, article no. 204106.
MIZUKAMI, Wataru - NAKAJIMA, Takahito - HIRAO, Kimihiko - YANAI, Takeshi. A dual-level approach to four-component relativistic density-functional theory. In Chemical physics letters. ISSN 0009-2614, 2011, vol. 508, no. 1-3, pp. 177-181.
STOPKOWICZ, Stella - GAUSS, Juergen. Direct perturbation theory in terms of energy derivatives : fourth-order relativistic corrections at the Hartree-Fock level. In Journal of chemical physics. ISSN 0021-9606, 2011, vol. 134, no. 6, article no. 064114.
SEINO, Junji - UESUGI, Wataru - HADA, Masahiko. Expectation values in two-component relativistic theories. In Journal of chemical physics. ISSN 0021-9606, 2010, vol. 132, no. 16, article no. 064108.
LIU, Wenjian. Ideas of relativistic quantum chemistry. In Molecular physics. ISSN 0026-8976, 2010, vol. 108, no. 13, pp. 1679-1706.
BROSS, David H. - PETERSON, Kirk A. Composite thermochemistry of gas phase U(VI)-containing molecules. In Journal of chemical physics. ISSN 0021-9606, 2014, vol. 141, no. 24, article no. 244038.
PARMAR, Payal - PETERSON, Kirk A. - CLARK, Aurora E. Static electric dipole polarizabilities of An(5+/6+) and AnO(2)(+/2+) (An = U, Np, and Pu) ions. In Journal of chemical physics. ISSN 0021-9606, 2014, vol. 141, no. 23, article no. 234304.
HOLZER, Christof - WERNBACHER, Anna M. - SENEKOWITSCH, Jan M. et al. A theoretical study on trivalent europium : from the free ion to the water complex. In Journal of physical chemistry A. ISSN 1089-5639, 2014, vol. 118, no. 49, pp. 11499-11511.
CHENG, Lan - GAUSS, Juergen. Perturbative treatment of spin-orbit coupling within spin-free exact two-component theory. In Journal of chemical physics. ISSN 0021-9606, 2014, vol. 141, no. 16, article no. 164107.
CHENG, Lan - STOPKOWICZ, Stella - GAUSS, Juergen. Analytic energy derivatives in relativistic quantum chemistry. In International journal of quantum chemistry. ISSN 0020-7608, 2014, vol. 114, no. 17, pp. 1108-1127.
BRITES, Vincent - MITRUSHCHENKOV, Alexander O. - PETERSON, Kirk A. - LEONARD, Celine. Ab initio ro-vibronic spectroscopy of SiCCl ((X)over-tilde(2)Pi). In Journal of chemical physics. ISSN 0021-9606, 2014, vol. 141, no. 3, article no. 034305.
LIU, Wenjian. Advances in relativistic molecular quantum mechanics. In Physics reports : review section of physics letters. ISSN 0370-1573, 2014, vol. 537, no. 2, pp. 59-89.
SEINO, Junji - TARUMI, Moto - NAKAI, Hiromi. Frozen core potential scheme with a relativistic electronic Hamiltonian : theoretical connection between the model potential and all-electron treatments. In Chemical physics letters. ISSN 0009-2614, 2014, vol. 592, pp. 341-348.
PEREIRA GOMES, Andre Severo - REAL, Florent - GALLAND, Nicolas et al. Electronic structure investigation of the evanescent AtO+ ion. In Physical chemistry chemical physics. ISSN 1463-9076, 2014, vol. 16, no. 20, pp. 9238-9248.
NAKAJIMA, Yuya - SEINO, Junji - NAKAI, Hiromi. Analytical energy gradient based on spin-free infinite-order Douglas-Kroll-Hess method with local unitary transformation. In Journal of chemical physics. ISSN 0021-9606, 2013, vol. 139, no. 24, article no. 244107.
CHALUPSKY, Jakub - YANAI, Takeshi. Flexible nuclear screening approximation to the two-electron spin-orbit coupling based on ab initio parameterization. In Journal of chemical physics. ISSN 0021-9606, 2013, vol. 139, no. 20, article no. 204106.
KAUFMAN, Sydney H. - WEBER, J. Mathias - PERNPOINTNER, Markus. Electronic structure and UV spectrum of hexachloroplatinate dianions in vacuo. In Journal of chemical physics. ISSN 0021-9606, 2013, vol. 139, no. 19, article no. 194310.
CHENG, Lan - GAUSS, Juergen - STANTON, John F. Treatment of scalar-relativistic effects on nuclear magnetic shieldings using a spin-free exact-two-component approach. In Journal of chemical physics. ISSN 0021-9606, 2013, vol. 139, no. 5, article no. 054105.
SEINO, Junji - NAKAI, Hiromi. Local unitary transformation method toward practical electron correlation calculations with scalar relativistic effect in large-scale molecules. In Journal of chemical physics. ISSN 0021-9606, 2013, vol. 139, no. 3, article no. 034109.
LIU, Wenjian - LINDGREN, Ingvar. Going beyond "no-pair relativistic quantum chemistry". In Journal of chemical physics. ISSN 0021-9606, 2013, vol. 139, no. 1, article no. 014108.
KELLEY, Matthew S. - SHIOZAKI, Toru. Large-scale Dirac-Fock-Breit method using density fitting and 2-spinor basis functions. In Journal of chemical physics. ISSN 0021-9606, 2013, vol. 138, no. 20, article no. 204113.
PENG, Daoling - MIDDENDORF, Nils - WEIGEND, Florian - REIHER, Markus. An efficient implementation of two-component relativistic exact-decoupling methods for large molecules. In Journal of chemical physics. ISSN 0021-9606, 2013, vol. 138, no. 18, article no. 184105.
HILL, J. Grant - MITRUSHCHENKOV, Alexander O. - PETERSON, Kirk A. Ab initio ro-vibrational spectroscopy of the group 11 cyanides : CuCN, AgCN, and AuCN. In Journal of chemical physics. ISSN 0021-9606, 2013, vol. 138, no. 13, article no. 134314.
PIETRZYK, Piotr - PODOLSKA, Katarzyna - SOJKA, Zbigniew et al. Molecular interpretation of EPR parameters computational spectroscopy approaches. In Electron paramagnetic resonance. ISSN 1464-4622, 2013, vol. 23, pp. 264-311.
FUX, Samuel - REIHER, Markus - STALKE, D. Electron Density in Quantum Theory. In Electron density and chemical bonding II : theoretical charge density studies. New York : Springer, 2012. ISBN 978-3-642-30808-6, pp. 99-142.
BRANDT, Sven - PERNPOINTNER, Markus. Calculation of the lowest electronic excitations of the alkaline earth metals using the relativistic polarization propagator. In Chemical physics. ISSN 0301-0104, 2015, vol. 455, pp. 7-16.
DENIS, Malika - NORBY, Morten S. - JENSEN, Hans Jorgen Aa et al. Theoretical study on ThF+, a prospective system in search of time-reversal violation. In New journal of physics. ISSN 1367-2630, 2015, vol. 17, article no. 043005.
SEINO, Junji - NAKAI, Hiromi. Large-scale two-component relativistic quantum-chemical theory : combination of the infinite-order Douglas-Kroll-Hess method with the local unitary transformation scheme and the Divide-and-Conquer method. In International journal of quantum chemistry. ISSN 0020-7608, 2015, vol. 115, no. 5, pp. 253-257.
SILENKO, Alexander J. General properties of the Foldy-Wouthuysen transformation and applicability of the corrected original Foldy-Wouthuysen method. In Physical review A. ISSN 2469-9926, 2016, vol. 93, no. 2, article no. 022108.
SCHWERDTFEGER, Peter - PASTEKA, Lukas F. - PUNNETT, Andrew - BOWMAN, Patrick O. Relativistic and quantum electrodynamic effects in superheavy elements. In Nuclear physics A. ISSN 0375-9474, 2015, vol. 944, pp. 551-577.
GOMES, Andre Severo Pereira - REAL, Florent - SCHIMMELPFENNIG, Bernd - WAHLGREN, Ulf - VALLET, Valerie. Applied computational actinide chemistry. In Computational methods in Lanthanide and actinide chemistry. Oxford : Blackwell science, 2015. ISBN 978-1-118-68830-4, pp. 269-298.
DENIS, Malika - FLEIG, Timo. In search of discrete symmetry violations beyond the standard model : thorium monoxide reloaded. In Journal of chemical physics. ISSN 0021-9606, 2016, vol. 145, no. 21.
FINNEY, Brian - MITRUSHCHENKOV, Alexander O. - FRANCISCO, Joseph S. - PETERSON, Kirk A. Ab initio ro-vibronic spectroscopy of the 2 Pi PCS radical and (1)Sigma+PCS- anion. In Journal of chemical physics. ISSN 0021-9606, 2016, vol. 145, no. 22.
KONECNY, Lukas - KADEK, Marius - KOMOROVSKY, Stanislav - MALKINA, Olga L. - RUUD, Kenneth - REPISKY, Michal. Acceleration of relativistic electron dynamics by means of X2C transformation : application to the calculation of nonlinear optical properties. In Journal of chemical theory and computation. ISSN 1549-9618, 2016, vol. 12, no. 12, pp. 5823-5833.
NAKANO, Masahiko - SEINO, Junji - NAKAI, Hiromi. Assessment of self-consistent field convergence in spin-dependent relativistic calculations. In Chemical physics letters. ISSN 0009-2614, 2016, vol. 657, pp. 65-71.
NAKAJIMA, Yuya - SEINO, Junji - NAKAI, Hiromi. Implementation of analytical energy gradient of spin-dependent general hartree-fock method based on the infinite-order Douglas-Kroll-Hess relativistic hamiltonian with local unitary transformation. In Journal of chemical theory and computation. ISSN 1549-9618, 2016, vol. 12, no. 5, pp. 2181-2190.
JAEGER, Benjamin - HELLMANN, Robert - BICH, Eckard - VOGEL, Eckhard. State-of-the-art ab initio potential energy curve for the krypton atom pair and thermophysical properties of dilute krypton gas. In Journal of chemical physics. ISSN 0021-9606, 2016, vol. 144, no. 11.
SILENKO, Alexander J. General properties of the Foldy-Wouthuysen transformation and applicability of the corrected original Foldy-Wouthuysen method. In Physical review A. ISSN 2469-9926, 2016, vol. 93, no. 2.
RUSAKOVA, Irina L. - RUSAKOV, Yurii Yu - KRIVDIN, Leonid B. Theoretical grounds of relativistic methods for calculation of spin spin coupling constants in nuclear magnetic resonance spectra. In Russian chemical reviews. ISSN 0036-021X, 2016, vol. 85, no. 4, pp. 356-426.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 
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Title Gauge origin independent calculations of nuclear magnetic shieldings in relativistic four-component theory Par.title Výpočty NMR konštánt nezávislých od kalibračného počiatku v relativistickej štvorkomponentnej teórii Author info Miroslav Iliaš, Trond Saue, Thomas Enevoldsen, Hans Jorgen Aa. Jensen Author Iliaš Miroslav 1975- (50%) UMBFP08 - Katedra chémie
Co-authors Saue Trond (20%)
Enevoldsen Thomas (15%)
Jensen Hans Jorgen Aagaard (15%)
Source document The Journal of Chemical Physics. Vol. 131, no. 12 (2009), pp. 124119-124119-13. - New York : American Institute of Physics, 2009 Keywords gauge origin independent calculations nuclear magnetic shielding relativistic four-component theory Language English Country United States of America Annotation The use of perturbation-dependent London atomic orbitals, also called gauge including atomic orbitals, has proven efficient for calculations of NMR shielding constants and other magnetic properties in the nonrelativistic framework. In this paper, the theory of London atomic orbitals for NMR shieldings is extended to the four-component relativistic framework and our implementation is described Public work category ADC No. of Archival Copy 23198 Repercussion category MELO, Juan I. - MALDONADO, Alejandro F. - AUCAR, Gustavo A. Relativistic effects on nuclear magnetic shieldings of CHnX4-n and CHXYZ (X, Y, Z = H, F, Cl, Br, I). In Journal of chemical physics. ISSN 0021-9606, 2012, vol. 137, no. 21, article no. 214319.
ANTUSEK, Andrej - KEDZIERA, Dariusz - KACZMAREK-KEDZIERA, Anna - JASZUNSKI, Michal. Coupled cluster study of NMR shielding of alkali metal ions in water complexes and magnetic moments of alkali metal nuclei. In Chemical physics letters. ISSN 0009-2614, 2012, vol. 532, pp. 1-8.
HELGAKER, Trygve - CORIANI, Sonia - JORGENSEN, Poul et al. Recent advances in wave function-based methods of molecular-property calculations. In Chemical reviews. ISSN 0009-2665, 2012, vol. 112, no. 1, pp. 543-631.
XIAO, Yunlong - SUN, Qiming - LIU, Wenjian. Fully relativistic theories and methods for NMR parameters. In Theoretical chemistry accounts. ISSN 1432-881X, 2012, vol. 131, no. 1, article no. 1080.
ARCISAUSKAITE, Vaida - KNECHT, Stefan - SAUER, Stephan P.A. - HEMMINGSEN, Lars. Fully relativistic coupled cluster and DFT study of electric field gradients at Hg in Hg-199 compounds. In Physical chemistry chemical physics. ISSN 1463-9076, 2012, vol. 14, no. 8, pp. 2651-2657.
JANKOWSKA, Joanna - SADLEJ, Joanna. Spectroscopic parameters in noble gas molecule : HXeF and its complex with HF. In Chemical physics letters. ISSN 0009-2614, 2011, vol. 517, no. 4-6, pp. 155-161.
LANTTO, Perttu - JACKOWSKI, Karol - MAKULSKI, Wlodzimierz et al. NMR shielding constants in PH3, absolute shielding scale, and the nuclear magnetic noment of P-31. In Journal of physical chemistry A. ISSN 1089-5639, 2011, vol. 115, no. 38, pp. 10617-10623.
RAMIREZ-TAGLE, Rodrigo - ALVARADO-SOTO, Leonor - ARRATIA-PEREZ, Ramiro et al. Probing the aromaticity of the [(HtAc)(3)(mu(2)-H)(6)], [(HtTh)(3)(mu(2)-H)(6)],(+), and [(HtPa)(3)(mu(2)-H)(6)] clusters. In Journal of chemical physics. ISSN 0021-9606, 2011, vol. 135, no. 10, article no. 104506.
ANTUSEK, Andrej - JASZUNSKI, Michal - OLEJNICZAK, Malgorzata. Ab initio study of NMR shielding constants and spin-rotation constants in N, P and As diatomic molecules. In Computational and theoretical chemistry. ISSN 2210-271X, 2011, vol. 970, no. 1-3, pp. 54-60.
ARCISAUSKAITE, Vaida - MELO, Juan I. - HEMMINGSEN, Lars - SAUER, Stephan P. A. Nuclear magnetic resonance shielding constants and chemical shifts in linear Hg-199 compounds : a comparison of three relativistic computational methods. In Journal of chemical physics. ISSN 0021-9606, 2011, vol. 135, no. 4, article no. 044306.
GOMEZ, Sergio S. - AUCAR, Gustavo A. Relativistic effects on the nuclear magnetic resonance shielding of FX (X = F, Cl, Br, I, and At) molecular systems. In Journal of chemical physics. ISSN 0021-9606, 2011, vol. 134, no. 20, article no. 204314.
JAMESON, Cynthia J. - DE DIOS, Angel C. - KAMIENSKATRELA, K. Theoretical and physical aspects of nuclear shielding. In Nuclear magnetic resonance. Cambridge : Royal societey of chemistry, 2011. ISBN 978-1-84973-279-6, pp. 37-54.
CUKRAS, Janusz - SADLEJ, Joanna. Theoretical predictions of the spectroscopic parameters in noble-gas molecules : HXeOH and its complex with water. In Physical chemistry chemical physics. ISSN 1463-9076, 2011, vol. 13, no. 34, pp. 15455-15467.
FLIEGL, Heike - TAUBERT, Stefan - LEHTONEN, Olli - SUNDHOLM, Dage. The gauge including magnetically induced current method. In Physical chemistry chemical physics. ISSN 1463-9076, 2011, vol. 13, no. 46, pp. 20500-20518.
ROUKALA, Juho - MALDONADO, Alejandro F. - VAARA, Juha et al. Relativistic effects on group-12 metal nuclear shieldings. In Physical chemistry chemical physics. ISSN 1463-9076, 2011, vol. 13, no. 47, pp. 21016-21025.
CERESOLI, D. - MARZARI, N. - LOPEZ, M. G. - THONHAUSER, T. Ab initio converse NMR approach for pseudopotentials. In Physical review B. ISSN 1098-0121, 2010, vol. 81, no. 18, article no. 184424.
KOMOROVSKY, Stanislav - REPISKY, Michal - MALKINA, Olga L. - MALKIN, Vladimir G. Fully relativistic calculations of NMR shielding tensors using restricted magnetically balanced basis and gauge including atomic orbitals. In Journal of chemical physics. ISSN 0021-9606, 2010, vol. 132, no. 15, article no. 154101.
CHENG, Lan - XIAO, Yunlong - LIU, Wenjian. Four-component relativistic theory for nuclear magnetic shielding : magnetically balanced gauge-including atomic orbitals. In Journal of chemical physics. ISSN 0021-9606, 2009, vol. 131, no. 24, article no. 244113.
CHENG, Lan - GAUSS, Juergen - STANTON, John F. Treatment of scalar-relativistic effects on nuclear magnetic shieldings using a spin-free exact-two-component approach. In Journal of chemical physics. ISSN 0021-9606, 2013, vol. 139, no. 5, article no. 054105.
JASZUNSKI, Michal - OLEJNICZAK, Malgorzata. NMR shielding constants in SeH2 and TeH2. In Molecular physics. ISSN 0026-8976, 2013, vol. 111, no. 9-11, pp. 1355-1363.
YOSHIZAWA, Terutaka - HADA, Masahiko. Gauge-origin dependence of NMR shielding constants in the Douglas-Kroll-Hess method. In Chemical physics letters. ISSN 0009-2614, 2015, vol. 618, pp. 132-141.
AUCAR, Gustavo A. Toward a QFT-based theory of atomic and molecular properties. In Physical chemisty chemical physics. ISSN 1463-9076, 2014, vol. 16, no. 10, pp. 4420-4438.
JANKOWSKA, Marzena - KUPKA, Teobald - STOBINSKI, Leszek - FABER, Rasmus - LACERDA, Evanildo G. - SAUER, Stephan P. A. Spin-orbit ZORA and four-component dirac-coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimers. In Journal of computational chemistry. ISSN 0192-8651, 2016, vol. 37, no. 4, pp. 395-403.
RAMIREZ-TAGLE, Rodrigo - ALVARADO-SOTO, Leonor - VILLAVICENCIO-WASTAVINO, Andres - ALVAREZ-THON, Luis. Relativistic effects on the aromaticity of the halogenated benzenes : C6X6, X = H, F, Cl, Br, I, At. In Physical chemistry chemical physics. ISSN 1463-9076, 2016, vol. 18, no. 36, pp. 25751-25755.
JANKOWSKA, Marzena - KUPKA, Teobald - STOBINSKI, Leszek - FABER, Rasmus - LACERDA, Evanildo G. - SAUER, Stephan P. A. Spin-orbit ZORA and four-component dirac-coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimers. In Journal of computational chemistry. ISSN 0192-8651, 2016, vol. 37, no. 4, pp. 395-403.
ANTUSEK, Andrej - JASZUNSKI, Michal. Accurate non-relativistic calculations of NMR shielding constants. In Gas phase NMR. ISSN 2044-253X, 2016, no. 6, pp. 186-217.
REPISKY, Michal - KOMOROVSKY, Stanislav - BAST, Radovan - RUUD, Kenneth. Relativistic calculations of nuclear magnetic resonance parameters. In Gas phase NMR. ISSN 2044-253X, 2016, no. 6, pp. 267-303.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika unrecognised