نمایش نتایج جستجو برای
نام مجله: Journal of Molecular Structure
موارد یافت شده: 40
1 - Synthesis, X-ray structure, spectroscopic properties and DFT studies of some dithiocarbazate complexes of nickel(II) (چکیده)2 - Conformational analysis, tautomerization, IR, Raman, and NMR studies of ethyl benzoylacetate (چکیده)
3 - Structure and vibrational assignment of bis(4-amino-3-penten-2-onato)nickel(II). A density functional theoretical study (چکیده)
4 - Conformational stability, molecular structure, intramolecular hydrogen bonding, and vibrational spectra of 5,5-dimethylhexane-2,4-dione (چکیده)
5 - Molecular structure and vibrational assignments of bis(4-aminopent-3-en-2-onato)copper(II): A detailed density functional theoretical study (چکیده)
6 - Synthesis, X-ray crystal structure and spectroscopic characterization of heterotrinuclear oxo-centered complex [Fe2NiO(CH3CH2COO)6(H2O)3] (چکیده)
7 - Gas phase kinetics and mechanism of 2,2-dimethyl but-3-enal and 1-methyl-6-methylenecyclohexa-2,4-diene-1-carbaldehyde retro-cheletropic ene reaction (چکیده)
8 - DFT calculations on the retro-ene reactions, part II: allyl n-propyl sulfide pyrolysis in the gas phase (چکیده)
9 - Substituent effects on the gas phase reactivity of alkyl allyl sulfides, a theoretical study (چکیده)
10 - Diversity in coordination behavior of dipicolinic acid with lead(II), calcium(II), and nickel(II) in the presence of pyrazine and 2-amino-4-methylpyridine spacers in construction of three supramolecular architectures (چکیده)
11 - A new supramolecular compound of chrome(III): Synthesis, spectroscopic characterization, X-ray crystal structure, DFT, and solution studies (چکیده)
12 - Structure, intramolecular hydrogen bonding, and vibrational spectraof 2,2,6,6-tetramethyl-3,5-heptanedione (چکیده)
13 - Vibrational assignment and proton tunneling in pyridine–pyridinium complexes (چکیده)
14 - O-H Bond Cleavage Step of the Wacker Process: A DFT Study (چکیده)
15 - Structure and vibrational assignment of magnesium acetylacetonate: A density functional theoretical study (چکیده)
16 - Experimental and theoretical studies of the triphenyltin(IV) chloride adduct of pyridine-2-ethanol (چکیده)
17 - Conformation and vibrational spectra and assignment of 2-thenoyltrifluoroacetone (چکیده)
18 - Conformational analysis, tautomerization, IR, Raman, and NMR studies of 3-phenylazo-2,4-pentanedione (چکیده)
19 - H-Transfer steps of the Wacker process: A DFT study (چکیده)
20 - On the Convergence of Morphing Evolutionary Structural Optimization Method to the Global Optimum for the Beam Design (چکیده)
21 - A novel supramolecular compound of cadmium(II): Synthesis, characterization,crystal structure, ab initio HF, DFT calculations and solution study (چکیده)
22 - Structure and Vibrational assignment of 3,4-diacetyl-2,5-hexanedione (چکیده)
23 - Structure and vibrational assignment of 3-nitro-2,4-pentanedione: A densityfunctional theoretical study (چکیده)
24 - Hydrogen bond strength and vibrational assignment of the enolform of 3-(phenylthio)pentane-2,4-dione (چکیده)
25 - Conformation, structure, intramolecular hydrogen bonding,and vibrational assignment of 4,4,4-trifluoro-1-(2-furyl)-1,3-butanedione (چکیده)
26 - Study of interaction of Spironolactone with Hydroxypropyl-β-Cyclodextrin in aqueous solution and in the solid state (چکیده)
27 - Structure and vibrational assignment of the enol form 1-chloro-1,1-difluoro-pentane-2,4-dione (چکیده)
28 - Intramolecular hydrogen bonding in 3-Methylthio-pentane-2,4-dione (چکیده)
29 - Structure and vibrational assignment of the enol form of 3-chloro-pentane-2,4-dione (چکیده)
30 - Vibrational assignment and structure of benzoylacetone: A density functional theoretical study (چکیده)
31 - Intramolecular hydrogen bonding in 2-nitromalonaldehyde: Infrared spectrum and quantum chemical calculations, (چکیده)
32 - Theoretical studies on the geometry, vibrational frequencies and electronic properties of [X(OH)(6)Mo6O18](4-/3-) (X = Fe-II/Co-III) Anderson-type anions (چکیده)
33 - Effect of substitution on the intramolecular hydrogen bonding of 4-amino-3-penten-2-one: Ab initio, (چکیده)
34 - A two-dimensional potential function for bent hydrogen bonded systems.II-6-hydroxy-2- formylfulvene (چکیده)
35 - synthesis, structure, and characterization of a new sandwich-type arsentungstocerate,[As2 W18 Ce3 O7 (چکیده)
36 - A two-dimensional double minimum potential function for bent (چکیده)
37 - Molecular structure and vibrational assignment of dimethyl oxaloacetate (چکیده)
38 - contingency reserve pricing via a joint energy and reserve dispatching approach (چکیده)
39 - molecular conformation and intramolecular hydrogen bonding in 4-amino-3-penten-2-one (چکیده)
40 - vibrational assignment and structure of 4-amino-3-cyano-3-penten-2-one (چکیده)
