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نویسنده: Vahidreza Darugar


موارد یافت شده: 28

1 - Behaviours of antiviral Oseltamivir in different media: DFT and SQMFF calculations (چکیده)
2 - Optimized molecular geometry, vibrational analysis, and Fe-O bond strength of Tris(α-cyanoacetylacetonate)iron(III):An experimental and theoretical study (چکیده)
3 - 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)
4 - 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)
5 - Voltage–current behavior of 4-phenylamino-3-penten-2-one and its derivatives molecular switch: a first-principles study (چکیده)
6 - Electronic transport behavior of 1-(Phenyldiazenyl)naphthalen-2-ol and its derivatives as optical molecular switches: A first-principles approach (چکیده)
7 - Isomerism, conformation, and structure of Bis(4,4-dimethyl-1-phenylpentane-1,3-dionato)copper(II); A theoretical and spectroscopy approach (چکیده)
8 - Synthesis, structure, tautomerism, intramolecular hydrogen bond, and vibrational assignment of 3-nitroso-2,4-pentanedione: A theoretical and experimental approach (چکیده)
9 - Conformations, molecular structure, and N–H⋯O hydrogen bond strength in 4-Alkylamino-3-penten-2-ones (چکیده)
10 - مطالعه نظری و تجربی تاتومری مشتقات هالوژنه پارا تری فلوئوروبنزوئیل استون به کمک نظریه تابعی - چگالی و طیف سنجی ارتعاشی (چکیده)
11 - Conformation, molecular structure, and vibrational assignment of bis(3,5-heptanedionato)copper(II) (چکیده)
12 - بررسی جذبCO در نانوساختارهای کبالت با استفاده از تئوری تابعی چگالی -DFT-: فازهای کریستالی مکعبی و هگزاگونال (چکیده)
13 - Estimating the intramolecular hydrogen bonds strength in the O-H…O=C systems using experimental 1H NMR results and QTAIM calculations (چکیده)
14 - Application of Hammett equation to intramolecular hydrogen bond strength in para-substituted phenyl ring of trifluorobenzoylacetone and 1-aryl-1,3-diketone malonates (چکیده)
15 - Tautomeric Equilibria Studies by UV-Vis Spectroscopy in β-diketones (چکیده)
16 - Application of Hammett equation to intramolecular hydrogen bond strength in para-substituted phenyl ring in some β-diketones and schiff bases (چکیده)
17 - Correlation Between Parameters Related to Intramolecular Hydrogen Bond Strength and Hammett Constant in Para Substituted Benzoylacetone (A Theoretical and Experimental Study) (چکیده)
18 - تاتومری و قدرت پیوند هیدروژنی درون مولکولی پارا کلر بنزوئیل استون بوسیله محاسبات کوانتومی - و نتایج طیف سنجی (چکیده)
19 - Conventional and Unconventional Intramolecular Hydrogen Bonding in some Beta-diketones (چکیده)
20 - Tautomerism, molecular structure, intramolecular hydrogen bond, and enol-enol equilibrium of para halo substituted 4,4,4-trifluoro-1- phenyl-1,3-butanedione; Experimental and theoretical studies (چکیده)
21 - Structure, isomerism, and vibrational assignment of aluminumtrifluoroacetylacetonate. An experimental and theoretical study (چکیده)
22 - Intramolecular hydrogen bond strength in three stable conformers of 2-(((1-phenylethyl) imino) methyl)phenol and itshalogen substitutions, as a Schiff base with chiral carbon; A theoretical study (چکیده)
23 - A first-principles study of aryloxyanthraquinone-based optical molecular switch (چکیده)
24 - Structure and geometry of Tetrakis(thiourea) platinum(II) and its guanine substituted complexes, Anticancer compounds (چکیده)
25 - Conformational stability, and intramolecular hydrogen bonding of Ribose; A DFT calculations (چکیده)
26 - The Cu-O strength of Copper (II) X-benzoylacetonate, X=Cland F; by DFT calculations (چکیده)
27 - Tautomerization and intramolecular hydrogen bond strength of 1-(4- Chlorophenyl)-4,4,4-trifluorobutane-1,3-dione by quantum calculations and experimental spectroscopy (چکیده)
28 - The effect of different Substitutions on the equilibrium constant of 1-Phenyl-1,3- butanedione (چکیده)