Keywords: سازندگان; Cytisine; UV-VIS; Fluorescence; Conformers;
مقالات ISI سازندگان (ترجمه نشده)
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Keywords: سازندگان; Propanediol; Conformers; Mm/submm wave spectrum; Rotational spectrum; Interstellar molecule;
Keywords: سازندگان; Ionic liquids; Conformers; Ion dynamics;
Keywords: سازندگان; 4-(Hydroxymethyl)-2-methoxyphenol; Vapour pressure; Energy of combustion; Enthalpy of formation; Conformers; Intramolecular hydrogen bond
Keywords: سازندگان; Capillary electrophoresis-mass spectrometry; Antithrombin; Conformers; Latent form; Heterodimer; AT; antithrombin; BGE; background electrolyte; BPE; base peak electropherogram; CE; capillary electrophoresis; CE-MS; capillary electrophoresis-mass spectrome
Keywords: سازندگان; Pentacoordinate silicon; Silocanes; Quasisilatranes; DFT; Conformers; X-ray diffraction
Keywords: سازندگان; Methylbenzenesulfonate; Electron diffraction; Conformers; NBO-analysis; Anomeric effect; Gas-phase and crystal structures
Keywords: سازندگان; Vibrational spectroscopy; Matrix isolation; Hydrogen bond; Glyoxylic acid; Computational chemistry; Conformers
Keywords: سازندگان; Raman spectra; Alcohols; Low-frequency vibrations; DFT calculations; Conformers
Para-xylyl linked bis-imidazolium ionic liquids: A study of the conformers of the cation and of the anion-cation hydrogen bonding
Keywords: سازندگان; α,αⲠdiimidazolium-p-xylene; Para-xylyl; Bis-imidazolium; Conformers; Raman measurements; DFT calculations;
Syntheses, characterization, solution behavior and catalytic activity of trans-[(guanidine)2PdX2] (Xâ¯=â¯Cl and OC(O)R; Râ¯=â¯Me, Ph and tBu) in Heck-Mizoroki coupling reactions involving chloroarenes/methyl acrylate
Keywords: سازندگان; Palladium; N,Nâ²,Nâ³-triarylguanidines; Heck-Mizoroki coupling; NâHâ¯O hydrogen bond; Conformers;
Сonformational study of persulfated propyl glucuronide
Keywords: سازندگان; Glucuronic acid; Persulfated; Conformers; NMR; Computational studies;
A study on the conformational space of the all-trans retinal deprotonated Schiff base
Keywords: سازندگان; Retinal; Conformers; Spectral properties; Relative energies; Excitation energy;
1H NMR and computational studies of the conformations in solution of one host/guest complex formed with an usnic acid tweezer and 2,4,7-trinitro-9-fluorenone (TNF)
Keywords: سازندگان; Stacking; Conformers; NMR; DFT-D;
Six-membered cyclopalladated N,N′,N″-triarylguanidines, [{κ2(C,N)Pd}2(μ-OAc)(μ-Pz)], [κ2(C,N)Pd(μ-Pz)]2 and a novel [AgNO3⊂{{κ2(C,N)Pd}2(μ-NO3)(μ-Pz)}]: Syntheses, reactivity studies, structural aspects, and solution behavior
Keywords: سازندگان; Pyrazoles; Conformers; Fluxional behavior; Palladium–silver complex; Guanidine
Effect of fluorination on methyl internal rotation barriers: Microwave spectra of cyclopropylfluoromethyl silane (c-C3H5SiHFCH3) and cyclopropyldifluoromethyl silane (c-C3H5SiF2CH3)
Keywords: سازندگان; Combined axis method; Chirped-pulse FTMW spectroscopy; Resonant cavity FTMW spectroscopy; Stark effect; Ab initio optimizations; Conformers;
Enzymes produced by autoactivation of blood factor XII in buffer
Keywords: سازندگان; Autoactivation; Autoamplification; Autohydrolysis; FXII; Plasma coagulation; Conformers;
UV-UV hole burning and IR dip spectroscopy of homophenylalanine by laser desorption supersonic jet technique
Keywords: سازندگان; Homophenylalanine; Conformers; Resonance enhanced multiphoton ionization; UV-UV hole burning spectroscopy; IR dip spectroscopy; Laser desorption;
A study of the molecular structure and spectroscopic properties of 3-hydroxy-2-quinoxalinecarboxylic acid by experimental methods and quantum chemical calculations
Keywords: سازندگان; 3-Hydroxy-2-quinoxalinecarboxylic acid; Tautomerism; Conformers; Vibrational spectroscopy; DFT;
The structures of pentanoyl chloride, CH3(CH2)3COCl, contained in supersonic expansions of argon gas
Keywords: سازندگان; Pentanoyl chloride; Valeroyl chloride; Nuclear electric quadrupole coupling; Conformers; Microwave spectroscopy; Conformational analysis;
Characterisation of triacetone triperoxide (TATP) conformers using LC-NMR
Keywords: سازندگان; TATP; LC-NMR; Conformers
The dissociation chemistry of low-energy N-formylethanolamine ions: Hydrogen-bridged radical cations as key intermediates
Keywords: سازندگان; Tandem mass spectrometry; CBS-QB3 model chemistry; C3H5NO ion structures; Conformers; Quid-pro-quo catalysis;
The preparation and TD-DFT studies of 1-[(4-methyl-2-nitrophenyl) azo]-2-naphthalenol (C.I. Pigment Red 3) nanoparticles
Keywords: سازندگان; 1-[(4-methyl-2-nitrophenyl)azo]-2-naphthalenol; Nanoparticles; Electrophoresis; Conformers; Electronic transition; UV–vis spectra
Probing the influence of solvent effects on the conformational behavior of 1,4-diazacyclohexane systems
Keywords: سازندگان; DFT calculations; Stereoelectronic effects; Conformers; Solvent; Ab initio molecular dynamics (AIMD) calculations
Photochemistry and DNA-affinity of some stilbene and distyrylbenzene analogues containing pyridinium and imidazolium iodides
Keywords: سازندگان; Photoisomerization (cis/trans); Conformers; Quaternized azastilbenes; Binding with DNA
Structural, spectroscopic and conformational properties of 2-methyl-2-(1H-tetrazol-1-yl)propan-1-ol experimental and theoretical approach
Keywords: سازندگان; 2-Methyl-2-(1H-tetrazol-1-yl)propan-1-ol; Crystal structure; Infrared spectra; Matrix isolation; DFT calculations; Conformers;
Infrared spectroscopic studies of the conformation in ethyl α-haloacetates in the vapor, liquid and solid phases
Keywords: سازندگان; Infrared absorption spectra; Frequency assignment; Conformers; Absorptivity; Enthalpy difference between conformers; Molar energy of activation;
Metal carboxylate complexes of L-3-phenyl-2-(3-phenyl-ureido)-propionic acid
Keywords: سازندگان; Urea derivatives; Carboxylate complexes; Dinuclear sodium complex; Polynuclear manganese complex; Conformers;
Submillimeter-wave spectrum of anti-anti and anti-gauche diethyl ether
Keywords: سازندگان; Diethyl ether; Rotational spectroscopy; Submillimeter spectroscopy; ALMA; Conformers; Radio-astronomy;
Nanosized bicalutamide and its molecular structure in solvents
Keywords: سازندگان; Bicalutamide; Nanoparticles; Anti-solvent precipitation; Conformers; Solvent effects
Carbon 1s photoelectron spectroscopy of 1-pentyne conformers
Keywords: سازندگان; 1-Pentyne; Photoelectron spectroscopy; Ab Initio; Molecular structure; Conformers
Energy levels and partition functions of internal rotation: Analytical approximations
Keywords: سازندگان; Internal rotation; Conformers; Partition functions; Periodic potentials;
Structural stabilities of metalated histidines in gas phase and existence of gaseous zwitterionic histidine conformers
Keywords: سازندگان; Metal binding energy; Charge solvation; Histidine; Zwitterion histidine; Conformers;
An investigation into the relaxation of the conformers of butan-2-ol in a supersonic expansion
Keywords: سازندگان; Butan-2-ol; Microwave spectroscopy; Fourier transform spectroscopy; Conformers; Energy barriers; Relaxation;
Interpretation of vibrational and NMR spectra of allyl acrylate: An evidence for several conformers
Keywords: سازندگان; Allyl acrylate; Conformers; DFT; IR; NMR; PED; Raman
Intrinsic viscosity of bovine serum albumin conformers
Keywords: سازندگان; Bovine serum albumin (BSA); Intrinsic viscosity; Conformers; Huggins’ constant; Kraemer's constant; Mark–Houwink's constant
Theoretical study of energetics and mechanisms of cis-trans interconversion of 1,3-diphenyltriazene
Keywords: سازندگان; Diphenyltriazene; Isomerization; Conformers; Dimer; HF; MP2; DFT study; Solvent effect;
Conformational and vibrational analysis of 2-, 3- and 4-trifluoromethylbenzaldehyde by ab initio Hartree-Fock, density functional theory and Moller-Plesset pertubasyon theory calculations
Keywords: سازندگان; Trifluoromethylbenzaldehydes; Conformers; Vibrations; IR spectra; Raman spectra; HF; DFT; MP2;
Preferential deprotonation and conformational stability of dicarboxylic acids: A packing effect
Keywords: سازندگان; Deprotonation; Dicarboxylic acids; Hydrogen-bonding; Conformers; Crystal structures
Search for cyclopropylbenzene conformers by studying the S1 â S0 electronic transition
Keywords: سازندگان; Cyclopropylbenzene; C6H5-C3H5; Conformers; Electronic transition; REMPI;
Isolation of the saddle and crown conformers of cyclotriveratrylene (CTV) oxime
Keywords: سازندگان; Cyclotriveratrylene (CTV); Tribenzocyclononatriene; Oxime; Conformers;
Identification of lamivudine conformers by Raman scattering measurements and quantum chemical calculations
Keywords: سازندگان; 31.15.Ew; 33.15.Bh; 33.20.Fb; 33.20.Tp; 26.20.Ey; 36.20.NgLamivudine; Raman spectrum; Conformers; Vibrational modes; Density functional theory; Human immunodeficiency virus; cis -1[2′2′-Hydroximetiol-5′5′-(1,3-oxathiolanyl)]cytosine
Cysteine conformations revisited
Keywords: سازندگان; Ab initio; Conformers; Cysteine; DFT; Gas; Water; Zwitterion;
Conformational changes of cyclohexanethiol adsorbed on gold surfaces
Keywords: سازندگان; Cyclohexanethiol; Gold nanoparticles; Monolayer; Conformers; SERS; STM;
1H, 13C and 15N NMR study of 2-alkylnitrosoamino-4-nitropyridines and N-oxides: An example on restricted inversion of sp3 nitrogen
Keywords: سازندگان; 2-Alkylnitrosoamino-4-nitropyridines; 2-Alkylnitrosoamino-4-nitropyridine N-oxides; 1H NMR; 13C NMR; 15N NMR; GIAO/DFT chemical shifts; Restricted sp3 nitrogen inversion; Diastereotopic protons; Conformers
An ab initio and DFT study of structure and vibrational spectra of disiloxane H3SiOSiH3 conformers
Keywords: سازندگان; Disiloxane; Conformers; DFT and ab initio Calculations; Vibrational analysis; Anharmonic wavenumbers;
Vibrational analysis of n-butyl, isobutyl, sec-butyl and tert-butyl nitrite
Keywords: سازندگان; Butyl nitrite; Raman; Vibrational analysis; Conformers
Density functional theory studies on conformational stability and vibrational spectra of 2â²-deoxyinosine
Keywords: سازندگان; 2â²-Deoxyinosine; Conformers; Vibrational spectra; DFT; Force constant scale factors;
Vibrational analysis and conformational study of 3-methylamino-2-acetyl propenenitrile and 3-methylamino-2-methylsulfonyl propenenitrile
Keywords: سازندگان; Push-pull ethylenes; Vibrational spectra; Conformers; Solvent effect calculations; Hydrogen bond;
Synthesis and anthelmintic activity of substituted (R)-phenyllactic acid containing cyclohexadepsipeptides
Keywords: سازندگان; Cyclohexadepsipepdides; CHDPs; Total synthesis; Anthelmintics; Parasitic nematode Haemonchus contortus; Conformers; cis-Amide bond