Keywords: طیف ارتعاش و تکالیف; Molecular structure; Vibrational spectra and assignments; Indomethacin; 2-{1-[(4-Chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid; Non-steroidal anti-inflammatory drug
مقالات ISI طیف ارتعاش و تکالیف (ترجمه نشده)
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A comparative study of the vibrational spectra of the anticancer drug melphalan and its fundamental molecules 3-phenylpropionic acid and l-phenylalanine
Keywords: طیف ارتعاش و تکالیف; Molecular structure; Vibrational spectra and assignments; Melphalan; Anticancer drug; 3-Phenylpropionic acid; l-Phenylalanine
The vibrational assignments of the infrared and Raman spectra of the symmetrically substituted 2,3-diphenylquinoxaline and its N,N′-dioxide: Experimental and computational study
Keywords: طیف ارتعاش و تکالیف; Structural stability; Vibrational spectra and assignments; 2,3-Diphenylquinoxaline; 2,3-Diphenylquinoxaline N,N′-dioxide
A study of the H-bonded structures and infrared and Raman spectral analysis of carbohydrazide and thiocarbohydrazide
Keywords: طیف ارتعاش و تکالیف; Conformational stability; H-bonding structures; Vibrational spectra and assignments; Carbohydrazide; Thiocarbohydrazide
A comparative study of the structure and vibrational spectra of diphenylmethane, the carcinogen 4,4′-methylenedianiline and 4,4′-methylenebis(N,N-dimethylaniline)
Keywords: طیف ارتعاش و تکالیف; Structural stability; Vibrational spectra and assignments; Diphenylmethane; 4,4′-Methylenedianiline; Carcinogen; 4,4′-Methylenebis(N,N-dimethylaniline)
A study of the molecular structure and vibrational spectra of 1,3-dichloro-2-propanol and 1,1,1-trichloro-2-methyl-2-propanol (chlorobutanol)
Keywords: طیف ارتعاش و تکالیف; Structural stability; Vibrational spectra and assignments; 1,3-Dichloro-2-propanol; 1,1,1-Trichloro-2-methyl-2-propanol; Chlorobutanol;
Analysis of the infrared and Raman spectra of the symmetrically substituted 1,3-diphenylurea and 1,3-diphenylacetone (dibenzyl ketone)
Keywords: طیف ارتعاش و تکالیف; Structural stability; DFT and MP2 structures versus X-ray structure; Vibrational spectra and assignments; 1,3-Diphenylurea; 1,3-Diphenylacetone; Dibenzyl ketone
Vibrational spectra and assignments of 3-phenylprop-2-en-1-ol (cinnamyl alcohol) and 3-phenyl-1-propanol
Keywords: طیف ارتعاش و تکالیف; Conformational stability; Vibrational spectra and assignments; 3-Phenylprop-2-en-1-ol; Cinnamyl alcohol; 3-Phenyl-1-propanol
Vibrational spectra and assignments of 2-phenylethanol and 2-phenoxyethanol
Keywords: طیف ارتعاش و تکالیف; Structural stability; Hydrogen bonding; Vibrational spectra and assignments; 2-Phenylethanol; 2-Phenoxyethanol
Analysis of the infrared and Raman spectra of phenylacetic acid and mandelic (2-hydroxy-2-phenylacetic) acid
Keywords: طیف ارتعاش و تکالیف; Structural stability; Vibrational spectra and assignments; Phenylacetic acid; Mandelic acid; 2-Hydroxy-2-phenylacetic acid
Conformational profile and vibrational assignments of hippuric and 4-aminohippuric acids
Keywords: طیف ارتعاش و تکالیف; Structural stability; Vibrational spectra and assignments; Hippuric acid; 4-Aminohippuric acid;
Molecular structure and vibrational assignments of 2,4-dichlorophenoxyacetic acid herbicide
Keywords: طیف ارتعاش و تکالیف; Structural stability; Vibrational spectra and assignments; 2,4-Dichlorophenoxyacetic acid; Herbicide
Comparative study between the X-ray, DFT and Møller-Plesset structure of solid phenoxyacetohydrazide
Keywords: طیف ارتعاش و تکالیف; Molecular structure; Comparison between X-ray and theoretical structures; Vibrational spectra and assignments; Phenoxyacetohydrazide;
DFT versus Møller-Plesset conformational profile and vibrational assignments of non-planar phenoxyacetic acid and 2,3,4,5,6-pentafluorophenoxyacetic acid
Keywords: طیف ارتعاش و تکالیف; Structural stability; Vibrational spectra and assignments; Phenoxyacetic acid; 2,3,4,5,6-Pentafluorophenoxyacetic acid;
Structural stability and analysis of vibrational spectra of 1,2,4,5-tetroxane and 3,6-diphenyl-1,2,4,5-tetroxane
Keywords: طیف ارتعاش و تکالیف; Structural stability; Ring inversion; Vibrational spectra and assignments; 1,2,4,5-Tetroxane; 3,6-Diphenyl-1,2,4,5-tetroxane
Structural stability, C–N internal rotations and vibrational spectral analysis of non-planar phenylurea and phenylthiourea
Keywords: طیف ارتعاش و تکالیف; Structural stability; Vibrational spectra and assignments; Phenylurea; Phenylthiourea
A study of internal rotations and vibrational spectra of oxiranemethanol (glycidol)
Keywords: طیف ارتعاش و تکالیف; Conformational stability; Potential energy curves; Vibrational spectra and assignments; Oxiranemethanol; Glycidol; 2,3-Epoxy-1-propanol
A study of conformational stability and vibrational assignments of 1-aminocyclopropanecarboxylic acid c-C3H4(NH2)-COOH
Keywords: طیف ارتعاش و تکالیف; Vibrational spectra and assignments; Conformational equilibrium constant; 1-Aminocyclopropanecarboxylic acid;
Structural stability, NH2 inversion and vibrational assignments of 2,4,6-trichloroaniline and 2,3,5,6-tetrachloroaniline
Keywords: طیف ارتعاش و تکالیف; Ab initio MP2; MP4(SDQ) and DFT-B3LYP calculations; Vibrational spectra and assignments; Aniline; 2,4,6-trichloroaniline; 2,3,5,6-tetrachloroaniline;
MP2, MP3 and MP4 versus DFT-B3LYP energies and vibrational assignments of near-planar carbamoyl azide and ketene
Keywords: طیف ارتعاش و تکالیف; Structural stability; Normal coordinate analysis; Vibrational spectra and assignments; Carbamoyl azide; Carbamoyl ketene
Vibrational spectra and analysis of acetohydrazide CH3-CO-NH-NH2
Keywords: طیف ارتعاش و تکالیف; Ab initio MP2 and DFT-B3LYP calculations; Vibrational spectra and assignments; Acetohydrazide;
Conformational stability and normal coordinate analyses of imidoylketene OCCH-CHNH
Keywords: طیف ارتعاش و تکالیف; Conformational stability; Vibrational spectra and assignments; Imidoylketene;
Structural stability and vibrational analysis of aminoethylene CH2CH-NH2 and aminoketene OCCH-NH2
Keywords: طیف ارتعاش و تکالیف; Ab initio MP2 and DFT-B3LYP calculations; Vibrational spectra and assignments; Vinylamine (aminoethylene); Keteneamine (aminoketene);
Conformational stability and vibrational analyses of vinyl diazene CH2CH-NNH and vinyl imine CH2CH-CHNH
Keywords: طیف ارتعاش و تکالیف; Conformational stability; Vibrational spectra and assignments; Vinyl diazene; Vinyl imine;