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Esmail Alikhani
Esmail Alikhani
Professor of Theoretical Chemistry
Verified email at upmc.fr
Title
Cited by
Cited by
Year
The topological analysis of the electron localization function. A key for a position space representation of chemical bonds
B Silvi, I Fourré, ME Alikhani
Monatshefte für Chemie/Chemical Monthly 136, 855-879, 2005
1522005
What can tell the topological analysis of ELF on hydrogen bonding?
ME Alikhani, F Fuster, B Silvi
Structural Chemistry 16, 203-210, 2005
1202005
Structure and stability of M− CO, M= first-transition-row metal: An application of density functional theory and topological approaches
J Pilme, B Silvi, ME Alikhani
The Journal of Physical Chemistry A 107 (22), 4506-4514, 2003
942003
Topological characterization of the isomerization mechanisms in XNO (X= H, Cl)
X Krokidis, B Silvi, ME Alikhani
Chemical physics letters 292 (1-2), 35-45, 1998
731998
Observed and calculated infrared spectra of Pd (H2) 1, 2, 3 complexes and palladium hydrides in solid argon and neon
L Andrews, X Wang, ME Alikhani, L Manceron
The Journal of Physical Chemistry A 105 (13), 3052-3063, 2001
702001
Comparative Study of the Bonding in the First Series of Transition Metal 1:1 Complexes M−L (M = Sc, ..., Cu; L = CO, N2, C2H2, CN-, NH3, H2O, and F-)
J Pilme, B Silvi, ME Alikhani
The Journal of Physical Chemistry A 109 (44), 10028-10037, 2005
642005
Critical analysis of the calculated frequency shifts of hydrogen-bonded complexes
B Silvi, R Wieczorek, Z Latajka, ME Alikhani, A Dkhissi, Y Bouteiller
The Journal of chemical physics 111 (15), 6671-6678, 1999
621999
The Missing Entry in the Agostic–Anagostic Series: Rh(I)–η1-C Interactions in P(CH)P Pincer Complexes
C Lepetit, J Poater, ME Alikhani, B Silvi, Y Canac, J Contreras-Garcia, ...
Inorganic chemistry 54 (6), 2960-2969, 2015
562015
Infrared-induced isomerization of ethanol dimers trapped in argon and nitrogen matrices: Monochromatic irradiation experiments and DFT calculations
S Coussan, ME Alikhani, JP Perchard, WQ Zheng
The Journal of Physical Chemistry A 104 (23), 5475-5483, 2000
522000
Activation of C–H and B–H bonds through agostic bonding: an ELF/QTAIM insight
EL Zins, B Silvi, ME Alikhani
Physical Chemistry Chemical Physics 17 (14), 9258-9281, 2015
492015
Vibrational Spectra of PtCO and Pt(CO)2 Isolated in Solid Argon:  Trends in Unsaturated Group 10 Metal Carbonyl Molecules
L Manceron, B Tremblay, ME Alikhani
The Journal of Physical Chemistry A 104 (16), 3750-3758, 2000
492000
Topological Analysis of the Reaction of Uranium Ions (U+, U2+) with N2O in the Gas Phase
ME Alikhani, MC Michelini, N Russo, B Silvi
The Journal of Physical Chemistry A 112 (50), 12966-12974, 2008
482008
The vibrational spectrum of the water trimer: Comparison between anharmonic ab initio calculations and neon matrix infrared data between 11,000 and 90 cm− 1
B Tremblay, B Madebène, ME Alikhani, JP Perchard
Chemical Physics 378 (1-3), 27-36, 2010
472010
Cooperative and anticooperative mixed trimers of HCl and methanol
M Weimann, M Fárník, MA Suhm, ME Alikhani, J Sadlej
Journal of molecular structure 790 (1-3), 18-26, 2006
452006
Ab initio study of (H 2 O) 1, 2· HCl: accurate energetic and frequency shift of HCl
ME Alikhani, B Silvi
Physical Chemistry Chemical Physics 5 (12), 2494-2498, 2003
452003
The Ni 2+ O 2 reaction: the IR spectrum and structure of Ni 2 O 2. A combined IR matrix isolation and theoretical study
F Allouti, L Manceron, ME Alikhani
Physical Chemistry Chemical Physics 8 (32), 3715-3725, 2006
362006
Observed and Calculated Infrared Spectrum of Pd (H2) in Solid Argon: A Ligand-Free Side-Bonded Molecular Hydrogen Complex
L Andrews, L Manceron, ME Alikhani, X Wang
Journal of the American Chemical Society 122 (44), 11011-11012, 2000
362000
Vibrational spectra and structure of CH3Cl: H2O, CH3Cl: HDO, and CH3Cl: D2O complexes. IR matrix isolation and ab initio calculations
N Dozova, L Krim, ME Alikhani, N Lacome
The Journal of Physical Chemistry A 109 (45), 10273-10279, 2005
352005
Energetic and topological analyses of the oxidation reaction between Mon (n = 1, 2) and N2O
MDC Michelini, N Russo, ME Alikhani, B Silvi
Journal of computational chemistry 26 (12), 1284-1293, 2005
352005
The (CH2)2O−H2O Hydrogen Bonded Complex. Ab Initio Calculations and Fourier Transform Infrared Spectroscopy from Neon Matrix and a New Supersonic Jet …
M Cirtog, P Asselin, P Soulard, B Tremblay, B Madebène, ME Alikhani, ...
The Journal of Physical Chemistry A 115 (12), 2523-2532, 2011
342011
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