화학공학소재연구정보센터
검색결과 : 3건
No. Article
1 An application of error reduction and harmonic inversion schemes to the semiclassical calculation of molecular vibrational energy levels
Kunikeev SD, Atilgan E, Taylor HS, Kaledin AL, Main J
Journal of Chemical Physics, 120(14), 6478, 2004
2 Equilibrium free energy estimates based on nonequilibrium work relations and extended dynamics
Atilgan E, Sun SX
Journal of Chemical Physics, 121(21), 10392, 2004
3 Extraction of the vibrational dynamics from spectra of highly excited polyatomics: DCO
Jung C, Taylor HS, Atilgan E
Journal of Physical Chemistry A, 106(13), 3092, 2002