Number of the records: 1
Relativistic effects in atomic and molecular properties
SYS 0102113 005 20250403085118.8 014 $a 000279890200001 $2 CCC 014 $a 000279890200001 $2 WOS CC. SCIE 014 $a 2-s2.0-77955211825 $2 SCOPUS 017 70
$a 10.2478/v10155-010-0003-1 $2 DOI 100 $a 20101011d2010 m y slo 03 ba 101 0-
$a eng 102 $a SK 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 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. 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 606 0-
$3 umb_un_auth*0110208 $a electron correlation 606 0-
$3 umb_un_auth*0177639 $a change of picture 606 0-
$3 umb_un_auth*0177640 $a ionization potentials 606 0-
$3 umb_un_auth*0177642 $a electron affinities 606 0-
$3 umb_un_auth*0177643 $a dipole moments and polarizabilities 606 0-
$3 umb_un_auth*0177644 $a nuclear quadrupole moments 606 0-
$3 umb_un_auth*0177645 $a multiple bonds 606 0-
$3 umb_un_auth*0177646 $a intermolecular interactions 615 $n 54 $a Chémia 675 $a 544.112 700 -1
$3 umb_un_auth*0173565 $a Iliaš $b Miroslav $f 1975- $p UMBFP08 $9 40 $4 070 $T Katedra chémie 701 -1
$3 umb_un_auth*0175902 $a Kelloe $b Vladimir $4 070 $9 30 701 -0
$3 umb_un_auth*0022360 $a Urban $b Miroslav $4 070 $9 30 801 $a SK $b BB301 $g AACR2 $9 unimarc sk 856 $u http://www.physics.sk/aps/pubs/2010/aps-10-03/aps-10-03.pdf $a Link na plný text T85 $x existuji fulltexy
Number of the records: 1