화학공학소재연구정보센터
검색결과 : 7건
No. Article
1 Coupled-Cluster Calculations of the Excitation-Energies of Benzene and the Azabenzenes
Delbene JE, Watts JD, Bartlett RJ
Journal of Chemical Physics, 106(14), 6051, 1997
2 Microwave Spectroscopic and Ab-Initio Studies of the Hydrogen-Bonded Trimethylamine-Hydrogen Sulfide Complex
Tubergen MJ, Flad JE, Delbene JE
Journal of Chemical Physics, 107(7), 2227, 1997
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 Basis-Set and Correlation-Effects on Computed Lithium Ion Affinities
Delbene JE
Journal of Physical Chemistry, 100(15), 6284, 1996
5 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
6 Ab-Initio Study of the Hydrogen-Bonded Bridging NH3-Pyridone Complex
Delbene JE
Journal of the American Chemical Society, 117(5), 1607, 1995
7 An Ab-Initio Study of Hydrogen-Bonded Complexes of Pyridone with Water
Delbene JE
Journal of Physical Chemistry, 98(23), 5902, 1994