Number of the records: 1
Simulation of vibrational spectra of large molecules by arbitrary time propagation
SYS 0326807 LBL 01247^^^^^2200325^^^450 005 20240103191841.3 014 $a 000262432000021 $2 WOS 017 $a 10.1021/ct800298n $2 DOI 100 $a 20100311d m y slo 03 ba 101 0-
$a eng $d eng 102 $a US 200 1-
$a Simulation of vibrational spectra of large molecules by arbitrary time propagation 215 $a 8 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. 5, č. 1 (2009), s. 200-207 $1 210 $c American Chemical Society 610 0-
$a vibrational spectra 610 0-
$a harmonic approximation 610 0-
$a Fourier techniques 700 -1
$3 cav_un_auth*0039023 $a Kubelka $b J. $y US $4 070 701 -1
$3 cav_un_auth*0103446 $a Bouř $b Petr $p UOCHB-X $w Spectral analytical methods and separations $z G $4 070 $T Ústav organické chemie a biochemie AV ČR, v. v. i.
Number of the records: 1