화학공학소재연구정보센터
검색결과 : 10건
No. Article
1 An ab initio and DFT study of the interaction between ethanethiol and zeolites
Soscun H, Castellano O, Hernandez J, Arrieta F, Bermudez Y, Hinchliffe A, Brussin MR, Sanchez M, Sierraalta A, Ruette F
Journal of Molecular Catalysis A-Chemical, 278(1-2), 165, 2007
2 Ab initio studies of the dipole moment and polarizability of azulene in its ground and excited singlet states
Hinchliffe A, Soscun HJ
Chemical Physics Letters, 412(4-6), 365, 2005
3 Ab initio and DFT study of the geometric structures and static dipole (hyper)polarizabilities of aromatic anions
Castellano O, Bermudez Y, Giffard M, Mabon G, Cubillan N, Sylla M, Nguyen-Phu X, Hinchliffe A, Soscun H
Journal of Physical Chemistry A, 109(45), 10380, 2005
4 Density functional studies of the dipole polarizabilities of substituted Stilbene, azoarene and related push-pull molecules
Hinchliffe A, Nikolaidi B, Machado HJS
International Journal of Molecular Sciences, 5(8-10), 224, 2004
5 Density functional studies of molecular polarizabilities. Part 8. Acenaphthene and acenaphthylene
Hinchliffe A, Machado HJS
Chemical Physics Letters, 321(1-2), 151, 2000
6 Density Functional Studies of Molecular Polarizabilities. 7. Anthracene and Phenanthrene
Hinchliffe A, Machado HJS
International Journal of Molecular Sciences, 1(1), 8, 2000
7 Density Functional Studies of Molecular Polarizabilities. 10. Fulvenes and Fulvalenes
Hinchliffe A, Machado HJS
International Journal of Molecular Sciences, 1(2), 39, 2000
8 Computational Studies of Atmospheric Chemistry Species .16. A Computational Thermodynamic Evaluation of the Altitude Profiles of (N2)2, N2-O2 and (O2)2 in the Earths Atmosphere
Slanina Z, Uhlik F, Dealmeida WB, Hinchliffe A
Thermochimica Acta, 231, 55, 1994
9 Computational Studies Atmospheric Chemistry .19. A Computational Evaluation of the Ozone Dimer Altitude Profile
Uhlik F, Slanina Z, Hinchliffe A
Thermochimica Acta, 232(1), 1, 1994
10 Computational Studies of Atmospheric Chemistry Species .14. Gas-Phase Association of O-2 - A Computational Thermodynamic Study
Uhlik F, Slanina Z, Hinchliffe A
Thermochimica Acta, 228, 9, 1993