| SYS | | 0102113 |
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| 005 | | 20250403085118.8 |
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| 014 | | $a 000279890200001 $2 CCC |
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| 014 | | $a 000279890200001 $2 WOS CC. SCIE |
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| 014 | | $a 2-s2.0-77955211825 $2 SCOPUS |
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| 017 | 70 | $a 10.2478/v10155-010-0003-1 $2 DOI |
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| 100 | | $a 20101011d2010 m y slo 03 ba |
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| 101 | 0- | $a eng |
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| 102 | | $a SK |
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| 200 | 1- | $a Relativistic effects in atomic and molecular properties $d Relativistické efekty v atómových a molekulových vlastnostiach $f Miroslav Iliaš, Vladimir Kelloe, Miroslav Urban $z slo |
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| 330 | 0- | $a Prehľad základných princípov a metód relativistickej kvantovej chémie. We present an overview of basic principles and methods of the relativistic quantum chemistry. Practical aspects of different methods will be discussed stressing their capability of providing accurate predictions of molecular properties, particularly in species containing a heavy metal element. We will present a series of examples showing the importance of relativistic effects in a variety of molecular properties including electron affinities, ionization potentials, reaction and dissociation energies, electric, spectroscopic and other properties. It is possible to recognize a link between these properties and behaviour of materials in some cases. |
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| 463 | -1 | $1 001 umb_un_cat*0308022 $1 011 $a 0323-0465 $1 011 $a 1336-040X $1 200 1 $a Acta Physica Slovaca $v Vol. 60, no. 3 (2010), pp. 259-391 $1 210 $a Bratislava $c Slovak Academy of Sciences $d 2010 |
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| 606 | 0- | $3 umb_un_auth*0110208 $a electron correlation |
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| 606 | 0- | $3 umb_un_auth*0177639 $a change of picture |
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| 606 | 0- | $3 umb_un_auth*0177640 $a ionization potentials |
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| 606 | 0- | $3 umb_un_auth*0177642 $a electron affinities |
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| 606 | 0- | $3 umb_un_auth*0177643 $a dipole moments and polarizabilities |
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| 606 | 0- | $3 umb_un_auth*0177644 $a nuclear quadrupole moments |
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| 606 | 0- | $3 umb_un_auth*0177645 $a multiple bonds |
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| 606 | 0- | $3 umb_un_auth*0177646 $a intermolecular interactions |
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| 615 | | $n 54 $a Chémia |
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| 675 | | $a 544.112 |
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| 700 | -1 | $3 umb_un_auth*0173565 $a Iliaš $b Miroslav $f 1975- $p UMBFP08 $9 40 $4 070 $T Katedra chémie |
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| 701 | -1 | $3 umb_un_auth*0175902 $a Kelloe $b Vladimir $4 070 $9 30 |
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| 701 | -0 | $3 umb_un_auth*0022360 $a Urban $b Miroslav $4 070 $9 30 |
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| 801 | | $a SK $b BB301 $g AACR2 $9 unimarc sk |
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| 856 | | $u http://www.physics.sk/aps/pubs/2010/aps-10-03/aps-10-03.pdf $a Link na plný text |
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| T85 | | $x existuji fulltexy |
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