Keywords: FT-IR و FT-Raman; Cocrystal; Adenine; Fumaric acid; Hydrogen-bond effect; FT-IR and FT-Raman; Density functional theory
مقالات ISI FT-IR و FT-Raman (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
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در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
Keywords: FT-IR و FT-Raman; Quinolinic acid; FT-IR and FT-Raman; NMR and UV spectra; DFT; Zwitterionic and neutral forms
Keywords: FT-IR و FT-Raman; FT-IR and FT-Raman; NMR and UV spectra; DFT; 3,4-Pyridinedicarboxylic acid; Dimer and anion forms
Keywords: FT-IR و FT-Raman; Organic compounds; FT-IR and FT-Raman; Theoretical calculation; Optical properties; Mass spectrometry
Spectroscopic investigation and DFT modelling studies of Eu3+ complex with 1-(2,6-dihydroxyphenyl)ethanone
Keywords: FT-IR و FT-Raman; Eu3+ complex; 1-(2,6-Dihydroxyphenyl)ethanone; FT-IR and FT-Raman; DFT calculations; Optical absorption and emission spectra; Femtosecond laser excitation;
Spectroscopic properties of Eu3+ complex with 2-hydroxy-4-metoxy-benzophenone - IR, Raman, DFT calculations and femtosecond laser excited luminescence
Keywords: FT-IR و FT-Raman; Eu3+ complex; 2 hydroxy-4-metoxy-benzophenone; FT-IR and FT-Raman; DFT calculations; Optical spectra; Femtosecond laser excitation;
Synthesis, molecular structure, spectral investigation on (E)-1-(4-bromophenyl)-3-(4-(dimethylamino)phenyl)prop-2-en-1-one
Keywords: FT-IR و FT-Raman; Propenone derivate; FT-IR and FT-Raman; DFT and TD-DFT; NMR and UV spectra; MEP;
Conformational and spectroscopic behaviors of 2,4-xylyl isothiocyanate
Keywords: FT-IR و FT-Raman; 2,4-xylyl isothiocyanate; FT-IR and FT-Raman; HOMO–LUMO; DFT; NLO and NBO analysis
Synthesis, crystal structure, vibrational spectral analysis and Z-scan studies of a new organic crystal N,N′dimethylurea ninhydrin: A scaled quantum mechanical force field study
Keywords: FT-IR و FT-Raman; X-ray diffraction; FT-IR and FT-Raman; Quantum mechanical method of computation; NBO; Nonlinear optical materials
Molecular structure, spectroscopic characterization, HOMO and LUMO analysis of 3,3′-diaminobenzidine with DFT quantum chemical calculations
Keywords: FT-IR و FT-Raman; 3,3′-diaminobenzidine; DFT; FT-IR and FT-Raman; UV; MEP
The spectroscopic and quantum chemical studies of 3,4-difluoroaniline
Keywords: FT-IR و FT-Raman; DFT; 3,4-difluoroaniline; FT-IR and FT-Raman; NMR and UV spectra; Density of states
Phase polymorphism of [Zn(OS(CH3)2)6](ClO4)2 studied by vibrational spectroscopy
Keywords: FT-IR و FT-Raman; Hexadimethylsulfoxidezinc(II) chlorate(VII); Phase transitions; Reorientational motions; FT-IR and FT-Raman;
Spectroscopic and molecular structure investigation of 2-furanacrylic acid monomer and dimer using HF and DFT methods
Keywords: FT-IR و FT-Raman; 2-Furanacrylic acid; FT-IR and FT-Raman; Hydrogen bond; HOMO–LUMO; NBO and AIM analysis
FT-IR, FT-Raman and UV spectroscopic investigation, electronic properties, electric moments, and NBO analysis of anethole using quantum chemical calculations
Keywords: FT-IR و FT-Raman; Flavoring substance; FT-IR and FT-Raman; UV spectra; NBO analysis; DFT
Quantum chemical and spectroscopic (FT-IR and FT-Raman) investigations of 3-methyl-3h-imidazole-4-carbaldehyde
Keywords: FT-IR و FT-Raman; FT-IR and FT-Raman; 3-Methyl-3h-imidazole-4-carbaldehyde; Solvent effect; HOMO–LUMO energies; DFT; MESP (molecular electrostatic potential surfaces)
Molecular structure, spectroscopic characterization (FT-IR, FT-Raman, UV and NMR), HOMO and LUMO analysis of 3-ethynylthiophene with DFT quantum chemical calculations
Keywords: FT-IR و FT-Raman; 3-Ethynylthiophene; FT-IR and FT-Raman; NMR and UV spectra; DFT;
Molecular structure, electronic properties, NLO, NBO analysis and spectroscopic characterization of Gabapentin with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations
Keywords: FT-IR و FT-Raman; Gabapentin; DFT; FT-IR and FT-Raman; NLO; NBO
FT-IR, FT-Raman, and DFT computational studies of melaminium nitrate molecular–ionic crystal
Keywords: FT-IR و FT-Raman; Melamine; FT-IR and FT-Raman; DFT; NBO
Molecular structure, polarizability, hyperpolarizability analysis and spectroscopic characterization of 1-(chloromethyl)-2-methylnaphthalene with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations
Keywords: FT-IR و FT-Raman; 1-(Chloromethyl)-2-methyl naphthalene; FT-IR and FT-Raman; HOMO–LUMO; HF and B3LYP; NLO
Vibrational frequencies, structural confirmation stability and HOMO–LUMO analysis of nicotinic acid ethyl ester with experimental (FT-IR and FT-Raman) techniques and quantum mechanical calculations
Keywords: FT-IR و FT-Raman; FT-IR and FT-Raman; HF and DFT; HOMO–LUMO; Nicotinic acid ethyl ester
FT-IR and FT-Raman spectra, vibrational assignments, NBO analysis and DFT calculations of 2-amino-4-chlorobenzonitrile
Keywords: FT-IR و FT-Raman; FT-IR and FT-Raman; TD-DFT; NBO; HOMO–LUMO; 2-Amino-4-chlorobenzonitrile
Experimental (FT-IR, FT-Raman) and theoretical (HF and DFT) investigation and HOMO and LUMO analysis on the structure of p-fluoronitrobenzene
Keywords: FT-IR و FT-Raman; p-Fluronitrobenzene; FT-IR and FT-Raman; HOMO–LUMO; HF and DFT electronic spectra; Fundamental vibrational frequencies
The spectroscopic FT-IR gas phase, FT-IR, FT-Raman, polarizabilities analysis of Naphthoic acid by density functional methods
Keywords: FT-IR و FT-Raman; FT-IR (gas phase); FT-IR and FT-Raman; DFT; Polarizability; Naphthoic acid; Vibrational frequencies