Počet záznamov: 1
Accurate excited-state geometries: a CASPT2 and coupled-cluster reference database for small molecules
SYS 0255056 LBL 00968^^^^^2200217^^^450 005 20240510100359.0 014 $a 000418205100038 $2 CCC 014 $a 000418205100038 $2 WOS CC. SCIE 014 $a 2-s2.0-85038258804 $2 SCOPUS 014 $a 29140697 $2 MEDLINE 014 $a 29140697 $2 PubMed 017 70
$a 10.1021/acs.jctc.7b00921 $2 DOI 100 $a 20180202d2017 m y slo 03 ba 101 0-
$a eng 102 $a US 200 1-
$a Accurate excited-state geometries: a CASPT2 and coupled-cluster reference database for small molecules $f Šimon Budzák, Giovanni Scalmani, Denis Jacquemin 463 -1
$1 001 umb_un_cat*0293282 $1 011 $a 1549-9618 $1 011 $a 1549-9626 $1 200 1 $a Journal of Chemical Theory and Computation $v Vol. 13, no. 12 (2017), pp. 6237-6252 $1 210 $a Washington $c The American Chemical Society $d 2017 606 0-
$3 umb_un_auth*0242764 $a excitované stavy 606 0-
$3 umb_un_auth*0265319 $a predpovede geometrií 606 0-
$3 umb_un_auth*0265320 $a metódy spriahnutých klastrov 606 0-
$3 umb_un_auth*0265321 $a CASPT2 615 $n 54 $a Chémia 675 $a 54 700 -1
$3 umb_un_auth*0121328 $a Budzák $b Šimon $f 1982- $p UMBFP08 $9 40 $4 070 $T Katedra chémie 701 -1
$3 umb_un_auth*0133182 $a Scalmani $b Giovanni $4 070 $9 20 701 -1
$3 umb_un_auth*0107850 $a Jacquemin $b Denis $4 070 $9 40 801 $a SK $b BB301 $g AACR2 $9 unimarc sk T85 $x existuji fulltexy
Počet záznamov: 1