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Author
5
Kosmas, A. M.
5
Papayannis, D. K.
4
Melissas, V. S.
3
Demetropoulos, I. N.
2
Gerothanassis, I. P.
2
Papamokos, G. V.
2
Papavasileiou, K. D.
2
Tzima, T. D.
1
Budyka, M. F.
1
Charisiadis, P.
.
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Subject
4
vibrational-spectra
2
kinetics
2
orbital methods
2
phonon dispersion
2
relative energetics
2
self-reaction
2
temperature-dependence
1
298 k
1
2nd-row elements
1
ab initio
.
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12
journalArticle
Date
2
2010 - 2013
10
2000 - 2009
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ΑΠΟΘΕΤΗΡΙΟ "ΟΛΥΜΠΙΑΣ"
Σχολή Θετικών Επιστημών
Τμήμα Χημείας
Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά). ΧΗΜ
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Results 1-10 of 12 (Search time: 0.649 seconds).
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Hydrogen bonding probes of phenol -OH groups (Journal article)
Structural and relative stability studies of IOOX peroxides (X = Cl, Br, I) and their isomers (Journal article)
Multitask molecular springs: Collective helical vibrations of R2Sn (R = H, C6H5, C2H3, CCl3) - A quantum mechanical study (Journal article)
A DFT study of the nitric oxide and tyrosyl radical interaction: A proposed radical mechanism (Journal article)
Correlating ground and excited state properties: a quantum chemical study of the photodissociation of the C-N bond in N-substituted anilines (Journal article)
A computational study of ethyl chloride conversion reactions catalyzed by acidic zeolites (Journal article)
Density functional study of a model amide. Prediction of formamide geometry, dipole moment, IR harmonic vibration nu(C=O) and GIAO NMR shieldings (Journal article)
Quantum mechanical studies on the BrO plus ClO reaction (Journal article)
Quantum mechanical studies of methyl bromoperoxide isomers and the CH3O+BrO reaction (Journal article)
Theoretical investigation of halogen-oxygen bonding and its implications in halogen chemistry and reactivity (Journal article)