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کلمات کلیدی: VIBRATIONAL
موارد یافت شده: 114
1 - Influence of fluorine substitution on the molecular structure, vibrational assignment, Cu–O bond strength and biological properties by comparing copper (II) trifluorobenzoylacetonate and benzoylacetonate complexes (چکیده)2 - The effect of alkyl substituents in the β-side on the conformation, molecular structure, and copper-oxygen bond strength of bis(β-diketonato)copper(II) complexes by DFT results and experimental vibrational and UV spectra (چکیده)
3 - Tautomerism in pyridinyl methyl β-diketones in the liquid and the solid state; a combined computational and experimental study (چکیده)
4 - طراحی فراماده زیرسطحی هت میراسازی مو برشی لرزه‌ای (چکیده)
5 - Synthesis, molecular structure, conformational, and intramolecular hydrogen bond strength of ethyl 3-amino-2-butenoate and its N-Me, N-Ph, and N-Bn analogs; An experimental and theoretical study (چکیده)
6 - Vibrational spectra, conformation and molecular transport of 5-amino-2,2,6,6-tetramethyl-4-hepten-3-one (چکیده)
7 - Structural and vibrational investigation of Cis–Trans isomers of potent insecticide allethrin (چکیده)
8 - Authentication of potential energy distribution by VEDA in vibrational assignment some of copper (II) of β-diketone complexes (چکیده)
9 - Validation of potential energy distribution by VEDA in vibrational assignment some of Copper (II) complexes with β-diketone ligands (چکیده)
10 - Behaviours of antiviral Oseltamivir in different media: DFT and SQMFF calculations (چکیده)
11 - Optimized molecular geometry, vibrational analysis, and Fe-O bond strength of Tris(α-cyanoacetylacetonate)iron(III):An experimental and theoretical study (چکیده)
12 - Isomerism, molecular structure, and vibrational assignment of tris(triflouroacetylacetonato)iron(III): An experimental and theoretical study (چکیده)
13 - Conformational analysis, tautomerization, and vibrational spectra of methyl acetoacetate (چکیده)
14 - Validation of potential energy distribution by VEDA in vibrational assignment some of β-diketones; comparison of theoretical predictions and experimental vibration shifts upon deutration (چکیده)
15 - Molecular structure, intramolecular hydrogen bond strength, vibrational assignment, and spectroscopic insight of 4-phenylamino-3-penten-2-one and its derivatives: A theoretical and experimental study (چکیده)
16 - A Vibrational Technique for In Vitro Intraoperative Prosthesis Fixation Monitoring (چکیده)
17 - Dynamic Characteristics of Functionalized Carbon Nanotube Reinforced Epoxy Composites: An Experimental Approach (چکیده)
18 - Synthesis, structure, tautomerism, intramolecular hydrogen bond, and vibrational assignment of 3-nitroso-2,4-pentanedione: A theoretical and experimental approach (چکیده)
19 - Conformation, molecular structure, and vibrational assignment of bis(3,5-heptanedionato)copper(II) (چکیده)
20 - Structure and vibrational analysis of copper (II) heptane-3,5-dione (چکیده)
21 - Molecular structure, spectroscopic studies, and coppereoxygen bond strength of a-methyl and a-ethyl derivatives of copper (II) acetylacetonate; Experimental and theoretical approach (چکیده)
22 - Vibrational spectra, normal coordinate analysis, and hydrogen bond investigation of pyridinium perchlorate (چکیده)
23 - Vibrational assignment and the effect of -methyl and ethyl substitutions on the Cu-O strength in bis-(3-alkylpentane-2,4-dionato)copper(II); An experimental and DFT study (چکیده)
24 - Structure, isomerism, and vibrational assignment of aluminumtrifluoroacetylacetonate. An experimental and theoretical study (چکیده)
25 - Conformational stability, barriers to internal rotations, and normal coordinate analysis of acetone and its 2H-isotopomers (چکیده)
26 - Transport, thermodynamic, and structural properties of rare earth zirconia-based electrolytes by molecular dynamics simulation (چکیده)
27 - The Effects of Connecting Region Length on the Natural Frequencies of Straight and Non-straight Hetero-junction Carbon Nanotubes (چکیده)
28 - (Vibrational spectra, normal coordinate analysis, and conformation of bis(a-cyanoacetylacetonato) Cu(II (چکیده)
29 - Density functional efficiency in the calculations of vibrational frequencies and molecular structure of β- diketones (چکیده)
30 - NORMAL COORDINATE ANALYSIS AND VIBRATIONAL ASSIGNMENTS FOR PYRIDINE AND ITS DEUTERATED DERIVATIVES (چکیده)
31 - Conformational analysis, structure, and normal coordinate analysis of vibrational spectra of hexafluoroacetone. A density functional theory study (چکیده)
32 - Intramolecular hydrogen bonding in 5-nitrosalicylaldehyde: IR spectrum and quantum chemical calculations (چکیده)
33 - Normal coordinate analysis, hydrogen bonding, and conformation analysis of heptane-3,5-dione (چکیده)
34 - Vibrational spectra of a-bromo and a-chloro derivatives of tris(acetylacetonato)chromium(III (چکیده)
35 - Vibrational spectra of tris(acetylacetonato)chromium(III) (چکیده)
36 - Analytical determination of size-dependent natural frequencies of fully clamped rectangular microplates based on the modified couple stress theory (چکیده)
37 - Tautomerism, conformational analysis, and spectroscopy studies of 3-bromo-pentane-2,4-dione (چکیده)
38 - Vibrational assignments and proton tunneling studies of pyrimidine-pyrimidinium complex (چکیده)
39 - Size-Dependent Flexural Wave Propagation and Free Vibration of Functionally Graded Rayleigh's Micro- Beams Based on the Modified Couple Stress Theory (چکیده)
40 - Conformation, molecular structure, and vibrational assignment of bis(2,2,6,6-tetramethylheptane-3,5-dionato)copper(II) (چکیده)
41 - Hydrogen bond strength and vibrational assignment of the enol form of 3-(ortho-methoxyphenylthio) and 3-(para-methoxyphenylthio) pentane-2,4-dione (چکیده)
42 - Vibrational spectra of Ocimum basilicum L. seed gum (چکیده)
43 - Theoretical and spectroscopic studies on molecular structure and hydrogen bonding of 2-trifluoroacetylphenol (چکیده)
44 - Vibrational assignment and structure of trinuclear oxo-centered of basic formate iron(III) and chromium(III) complexes: A density functional theory study (چکیده)
45 - Intramolecular hydrogen bonding and vibrational assignment of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione (چکیده)
46 - Vibrational assignment of calcium acetylacetonate (چکیده)
47 - Very strong intramolecular hydrogen bonding of 1,2-dithenoylcyclopentadiene; DFT and spectroscopic studies (چکیده)
48 - Conformational analysis, tautomerization, IR, Raman, and NMR studies of benzyl acetoacetate (چکیده)
49 - Theoretical study, and infrared and Raman spectra of copper(II) chelated complex with dibenzoylmethane (چکیده)
50 - Structural, potential surface and vibrational spectroscopy studies of hypophosphorous acid in the gas and liquid phases. A theoretical study (چکیده)
51 - Vibrational assignment and structure of Vanadyl acetoacetonate (چکیده)
52 - Structure And Vibrational Analysis Of Ethyl 3-Amino-2-Butenoate (چکیده)
53 - Metal-Ligand Bond Vibrations In Alkaline Earth Metal Acetylacetonates (چکیده)
54 - Intramolecular hydrogen bonding and vibrational spectra of 2,2,6,6-tetramethyl-3,5-heptanedione (چکیده)
55 - Vibrational assignment and structure of trifluorobenzoylacetone: A density functional theoretical study (چکیده)
56 - Structure and vibrational assignment of bis(benzoylacetonato)copper(II) (چکیده)
57 - Conformation, molecular structure, and intramolecular hydrogen bonding of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione (چکیده)
58 - Vibrational assignment and structure of 3-amino-1-phenyl-2-buten-1-one (چکیده)
59 - Vibrational assignment and structure of N-phenylthiobenzamide - A DFT approach (چکیده)
60 - Conformational analysis and vibrational assignment of bis-gem-diol of hexafluoroacetylacetone (چکیده)
61 - Molecular Structure and Vibrational Spectra Simulation of Macro-porous Lithium Metal Oxide Materials (چکیده)
62 - Conformational analysis, intramolecular hydrogen bonding, and vibrational assignment of 4,4-dimethyl-1-phenylpentane-1,3-dione (چکیده)
63 - Theoretical and spectroscopic studies on molecular structure and hydrogen bonding of 1,2-bis (monochloroacetyl) cyclopentadiene (چکیده)
64 - Structure and vibrational analysis of methyl 3-amino-2-butenoate (چکیده)
65 - Structure, vibrational assignment, and NMR spectroscopy of 1,2-bis (dichloroacetyl) cyclopentadiene (چکیده)
66 - Trimerization of sulfur trioxide: a density functional theory study (چکیده)
67 - Conformational analysis, tautomerization, IR, Raman, and NMR studies of ethyl benzoylacetate (چکیده)
68 - Intramolecular hydrogen bonding of 1,1,1-trifluoro-5,5-dimethyl-2,4- hexanedione. A vibrational spectroscopic study (Part II) (چکیده)
69 - Density functional efficiency in calculation of vibrational spectra of carbonyl compounds (چکیده)
70 - Conformations and Intramolecular hydrogen bonding in 3-Bromodibenzoylmethane (چکیده)
71 - Synthesis, Structure, and vibrational assignment of 3-amino-1-phenyl-2-buten-1-one (چکیده)
72 - Conformational analysis, structure and vibrational assignment of hexafluoroacetone. A density functional theory study (چکیده)
73 - Conformation analysis, tautomerism, and vibrational assignment of 1- amino-2-keto-6-cyclohexene (چکیده)
74 - Structure and vibrational assignment of cobalt(III) formylacetylacetonate (چکیده)
75 - Structure and vibrational spectra of methyl 3-(methylamino)-2-Butenoate. A density functional theoretical study (چکیده)
76 - Theoretical Molecular Structures and Vibrational Analysis of Monohalogenated Thiophenols (چکیده)
77 - Fourier Transform Infrared and Raman Spectra and Structure of Methyl 3-(Amino)-2-Botenoate. A Density Functional Theoretical Study (چکیده)
78 - Structure and vibrational assignment of bis(4-amino-3-penten-2-onato)nickel(II). A density functional theoretical study (چکیده)
79 - Conformational stability, molecular structure, intramolecular hydrogen bonding, and vibrational spectra of 5,5-dimethylhexane-2,4-dione (چکیده)
80 - Synthesis, X-ray crystallography characterization, vibrational spectroscopy, and DFT theoretical studies of a new organic–inorganic hybrid material (چکیده)
81 - INFLUENCE OF VIBRATIONAL MODE ON THE ELECTRONIC PROPERTIES OF DNA MOLECULE IN LADDER MODEL (چکیده)
82 - Conformational Stabilities, EPR, IR and VCD Studies of Tris(ethylenediamine)nickel(II) Chloride (چکیده)
83 - Vibrational assignment of α-cyanoacetylacetone (چکیده)
84 - Structure, intramolecular hydrogen bonding, and vibrational spectraof 2,2,6,6-tetramethyl-3,5-heptanedione (چکیده)
85 - Vibrational assignment and proton tunneling in pyridine–pyridinium complexes (چکیده)
86 - Synthesis, Structure and vibrational assignment of b is(4-aminopent-3-en-2-onato) copper(II) (چکیده)
87 - Spectroscopic Studies of intramolecular H bond in the enol form of -diketones. I. Frequencies assignment “Spectrochim (چکیده)
88 - Conformation and vibrational spectra and assignment of 2-thenoyltrifluoroacetone (چکیده)
89 - On the reassignment of Vibrational frequencies of Malonaldehyde (چکیده)
90 - Conformational analysis, tautomerization, IR, Raman, and NMR studies of 3-phenylazo-2,4-pentanedione (چکیده)
91 - Theoretical Vibrational Spectra Studies: The Effect of Ring Size on the Carbonyl Vibrational Frequencies (چکیده)
92 - Structure and Vibrational assignment of 3,4-diacetyl-2,5-hexanedione (چکیده)
93 - Vibrational Assignment of Trifluorobenzoylacetone (چکیده)
94 - Vibrational assignment of dibenzoylmethane. A density functional theoretical study (چکیده)
95 - Conformational stabilities, infrared, and vibrationaldichroism spectroscopy studies of tris(ethylenediamine) zinc(II) chloride (چکیده)
96 - Structure and vibrational assignment of 3-nitro-2,4-pentanedione: A densityfunctional theoretical study (چکیده)
97 - Hydrogen bond strength and vibrational assignment of the enolform of 3-(phenylthio)pentane-2,4-dione (چکیده)
98 - Conformation, structure, intramolecular hydrogen bonding,and vibrational assignment of 4,4,4-trifluoro-1-(2-furyl)-1,3-butanedione (چکیده)
99 - Structure and vibrational assignment of the enol form 1-chloro-1,1-difluoro-pentane-2,4-dione (چکیده)
100 - Intramolecular hydrogen bonding in 3-Methylthio-pentane-2,4-dione (چکیده)
101 - Theoretical studies of the tetrachlorocuprate (II) anion: ADF geometry optimization, and calculation of the PES, EPR parameters, and vibrational frequencies (چکیده)
102 - Structure and vibrational assignment of the enol form of 3-chloro-pentane-2,4-dione (چکیده)
103 - Molecular Dynamics Simulation of Double-walled Carbon nanotube Vibrations: comparison with continuum elastic therories (چکیده)
104 - Vibrational assignment and structure of benzoylacetone: A density functional theoretical study (چکیده)
105 - Comparison between optimized geometries and vibrational frequencies calculated by the DFT methods for the Anderson-type heteropolyanion: Hexamolybdoaluminate(III),[Al-III(OH)(6)Mo6O18](3-) (چکیده)
106 - 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)
107 - Structure and vibrational assignment of the enol form of 1,1,1-trifluoro-2,4-pentanedione (چکیده)
108 - Density functional theory and Hartree-Fock studies: Geometry, vibrational frequencies and electronic (چکیده)
109 - Fourier Transform Infrared and Raman Spectra, Vibrational Assignment and Density Functional Theory Calculations of Naphthazarin (چکیده)
110 - Molecular structure and vibrational assignment of dimethyl oxaloacetate (چکیده)
111 - vibrational assignment of acetylacetone (چکیده)
112 - Vibrational assignment of C2v deuterium substituted pyrimidines (چکیده)
113 - vibrational assignment and structure of 4-amino-3-cyano-3-penten-2-one (چکیده)
114 - structure and vibrational spectra of the enol form of hexafluoro- acetylacetone. a density functiona (چکیده)
