Number of the records: 1  

An MS-CASPT2 Calculation of the Excited Electronic States of an Axial Difluoroborondipyrromethene (BODIPY) Dimer

  1. SYS0493068
    LBL
      
    01000a^^22220027750^450
    005
      
    20240103220437.4
    014
      
    $a 85048372945 $2 SCOPUS
    014
      
    $a 29874458 $2 PUBMED
    014
      
    $a 000442186100032 $2 WOS
    017
      
    $a 10.1021/acs.jctc.8b00136 $2 DOI
    100
      
    $a 20180907d m y slo 03 ba
    101
      
    $a eng $d eng
    102
      
    $a US
    200
    1-
    $a An MS-CASPT2 Calculation of the Excited Electronic States of an Axial Difluoroborondipyrromethene (BODIPY) Dimer
    215
      
    $a 7 s.
    463
    -1
    $1 001 cav_un_epca*0039629 $1 011 $a 1549-9618 $e 1549-9626 $1 200 1 $a Journal of Chemical Theory and Computation $v Roč. 14, č. 8 (2018), s. 4291-4297 $1 210 $c American Chemical Society
    610
      
    $a second-order perturbation theory
    610
      
    $a Gaussian basis sets
    610
      
    $a photodynamic therapy
    700
    -1
    $3 cav_un_auth*0296843 $i Výpočetní chemie $j Computational Chemistry $k 620/62 $l 620/62 $w Molecular modeling and spectroscopy in chemistry and biology $4 070 $a Wen $b Jin $p UOCHB-X $y CN $T Ústav organické chemie a biochemie AV ČR, v. v. i.
    701
    -1
    $3 cav_un_auth*0239181 $4 070 $a Han $b B. $y US
    701
    -1
    $3 cav_un_auth*0103502 $i Výpočetní chemie $j Computational Chemistry $k 620/62 $l 620/62 $w Molecular modeling and spectroscopy in chemistry and biology $4 070 $a Havlas $b Zdeněk $p UOCHB-X $y CZ $T Ústav organické chemie a biochemie AV ČR, v. v. i.
    701
    -1
    $3 cav_un_auth*0234884 $i Organická chemie $j Organic chemistry $k 720/72 $l 720/72 $w Synthetic organic, materials and nano chemistry $4 070 $a Michl $b Josef $p UOCHB-X $y US $z K $T Ústav organické chemie a biochemie AV ČR, v. v. i.
Number of the records: 1  

  This site uses cookies to make them easier to browse. Learn more about how we use cookies.