화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Experimental matrix isolation study and quantum-mechanics-based normal-coordinate analysis of the anharmonic infrared spectrum of picolinic acid N-oxide
Szczepaniak K, Person WB, Hadzi D
Journal of Physical Chemistry A, 109(30), 6710, 2005
2 Raman and infrared spectra of thymine. A matrix isolation and DFT study
Szczepaniak K, Szczesniak MM, Person WB
Journal of Physical Chemistry A, 104(16), 3852, 2000
3 Resolving Discrepancies Between Theory and Experiment - Ir-Spectrum of the Proton-Shared HBr-Pyridine Complex
Delbene JE, Szczepaniak K, Chabrier P, Person WB
Journal of Physical Chemistry A, 101(25), 4481, 1997
4 Properties of Hydrogen-Bonded Complexes Obtained from the B3Lyp Functional with 6-31G(D,P) and 6-31+g(D,P) Basis-Sets - Comparison with Mp2/6-31+g(D,P) Results and Experimental-Data
Delbene JE, Person WB, Szczepaniak K
Journal of Physical Chemistry, 99(27), 10705, 1995