Počet záznamů: 1
Nonadiabatic Excited-State Dynamics with Hybrid ab Initio Quantum-Mechanical/Molecular-Mechanical Methods: Solvation of the Pentadieniminium Cation in Apolar Media
SYS 0353649 LBL 02235^^^^^2200313^^^450 005 20240103194545.3 014 $a 000278981900004 $2 WOS 017 $a 10.1021/jp103101t $2 DOI 100 $a 20110107d m y slo 03 ba 101 0-
$a eng $d eng 102 $a US 200 1-
$a Nonadiabatic Excited-State Dynamics with Hybrid ab Initio Quantum-Mechanical/Molecular-Mechanical Methods: Solvation of the Pentadieniminium Cation in Apolar Media 215 $a 9 s. 463 -1
$1 001 cav_un_epca*0257078 $1 011 $a 1089-5639 $e 1520-5215 $1 200 1 $a Journal of Physical Chemistry A $v Roč. 114, č. 25 (2010), s. 6757-6765 $1 210 $c American Chemical Society 610 0-
$a Nonadiabatic excited-state dynamics 610 0-
$a hybrid methods 610 0-
$a multireference methods 610 0-
$a penta-2,4-dien-1-iminium cation (PSB3) 610 0-
$a 4-methyl-penta-2,4-dien-1- iminium cation (MePSB3) 700 -1
$3 cav_un_auth*0263512 $a Ruckenbauer $b M. $y AT $4 070 701 -1
$3 cav_un_auth*0219772 $a Barbatti $b M. $y AT $4 070 701 -1
$3 cav_un_auth*0224599 $a Müller $b T. $y DE $4 070 701 -1
$3 cav_un_auth*0254214 $a Lischka $b Hans $i Nekovalentní interakce $j Non-Covalent Interactions $k 610/61 $l 610/61 $p UOCHB-X $z G $4 070 $T Ústav organické chemie a biochemie AV ČR, v. v. i.
Počet záznamů: 1