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5 research outputs found
Conformational dependence of vibrational spectra in some branched octanes: 3,3-and 2,2-dimethylhexanes
Author
Aboulmouhajir A.
Mouatarif S.
Van Alsenoy Christian
Publication venue
Publication date
01/01/2008
Field of study
No full text
Institutional Repository Universiteit Antwerpen
Ab initio (HF, post HF and DFT) conformational and vibrational investigations of 2,4- dimethyl hexane
Author
Aboulmouhajir A.
El Hamdani N.
Mouatarif S.
Van Alsenoy Christian
Publication venue
Publication date
01/01/2013
Field of study
No full text
Institutional Repository Universiteit Antwerpen
Conformational Dependence of Vibrational Spectra in Some Branched Octanes: 3,3‐ and 2,2‐Dimethylhexanes
Author
A. Aboulmouhajir
Aboulmouhajir A.
+23 more
Aboulmouhajir A.
Aboulmouhajir A.
Aboulmouhajir A.
Bhardwaj I. S.
C. Van Alsenoy
Crowder G. A.
Doston N. A.
Frisch M. J.
Herrebout W. A.
Hoffman R. W.
Hélio F.
Koglin E.
Liu F. L.
Mirkin N. G.
Mirkin N. G.
Mouatarif S.
Mouatarif S.
Murko M. A.
Palmo K.
S. Mouatarif
Smith G. D.
Tsuzuki S.
Wescott J. T.
Publication venue
'Informa UK Limited'
Publication date
Field of study
No full text
Crossref
Electronic investigation and spectroscopic analysis using DFT with the long-range dispersion correction on the six lowest conformers of 2.2.3-trimethyl pentane
Author
A Aboulmouhajir
A Aboulmouhajir
+32 more
AE Reed
CJ Moon
CK Westbrook
DR Lide
E Results
EJ Prosen
F Pauzat
HJ Curran
HJ Curran
IM Alecu
J Antony
JP Wagner
K Fukui
LBA Oliveira
M Alam
N Arasu
NG Mirkin
OC Enech
S Grimme
S Jeyavijayan
S Mouatarif
S Natarajan
SA Siddiqui
SI Ben
T Yanai
TA Albahri
V Sasikala
W Förner
WL Fitch
WM Haynes
Y Tawada
YB Shankar Rao
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Ab initio study on the six lowest energy conformers of iso-octane: conformational stability, barriers to internal rotation, natural bond orbital and first-order hyperpolarizability analyses, UV and NMR predictions, spectral temperature sensitivity, and scaled vibrational assignment
Author
A Aboulmouhajir
A Guelai
+41 more
A Suvitha
AE Owen
AE Reed
AE Reed
Aziz Aboulmouhajir
C Lee
Christian Van Alsenoy
D Avci
D Avci
DR Lide Jr
E Condon
F Pauzat
G Colherinhas
G Keresztury
HJ Werner
IM Alecu
JML Martin
Karima Sadik
KM Gough
KS Pitzer
L Chiari
MAL Marques
MF Iozzi
Mouhi Eddine Hachim
NG Mirkin
O Jha
OC Enech
PY Ayala
R Guntram
R Krishnan
S Altürk
S Mouatarif
S Natarajan
Said Byadi
SP Vijayachamundeeswari
SR Cox
U.S. Environmental Protection Agency
V Sasikala
YB Shankar Rao
YX Sun
ZR Grabowski
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref