Keywords: شیمی تئوری; Automated kinetics; Biofuel; Theoretical chemistry; Pyrolysis; Quantum chemistry; Pressure dependence;
مقالات ISI شیمی تئوری (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
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.
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: شیمی تئوری; Singlet fission; Exciton; Energy level matching; Diradical character; Electronic coupling; Vibronic coupling; Exciton-phonon coupling; Quantum master equation; Relaxation; Spectral density; Design guideline; pentacene; Organic photovolatic cell; Photoel
Keywords: شیمی تئوری; Density functional; Theoretical chemistry; Ionic liquids; Physicochemical properties; Geometry optimization; Cations/anions;
Keywords: شیمی تئوری; Metal–organic framework; Molecular simulation; Computational chemistry; Theoretical chemistry; Quantum chemistry; Molecular dynamics
Keywords: شیمی تئوری; Orlistat–sibutramine–carnitine polypills; Thermal characterization; Cyclic DSC; Theoretical chemistry; Orlistat degradation by-products
Theoretical and experimental study of fenofibrate and simvastatin
Keywords: شیمی تئوری; Fenofibrate-simvastatin mixtures; Thermal analysis; X-ray diffraction; Theoretical chemistry; DFT-PBE1PBE; DFT-B3LYP; IR analysis;
Ab-initio surface hopping and multiphoton ionisation study of the photodissociation dynamics of CS2
Keywords: شیمی تئوری; Photodissociation; Photoelectron spectroscopy; Theoretical chemistry; Non-adiabatic dynamics;
Logros y perspectivas de la QuÃmica Teórica
Keywords: شیمی تئوری; QuÃmica Teórica; QuÃmica Computacional; Mecánica cuántica; Función de onda; Densidad electrónica; TeorÃa de funcionales de la densidad; Estructura electrónica; Cielo quÃmico; Multiescala; Escalas espaciotemporales; Theoretical Chemistry; Computa
Comprehensive insight into molecular magnetism via CONDON: Full vs. effective models
Keywords: شیمی تئوری; Magnetic properties; Molecular magnetism; Molecular modeling; Theoretical chemistry; Lanthanide compounds; Actinide compounds;
2D-NMR, X-ray crystallography and theoretical studies of the reaction mechanism for the synthesis of 1,5-benzodiazepines from dehydroacetic acid derivatives and o-phenylenediamines
Keywords: شیمی تئوری; Benzodiazepines; Dehydroacetic acid; (E/Z)-Diastereomers; 2D-NMR; X-ray crystallography; Theoretical chemistry
Effect of basis set, electron correlation and hydration on the designing of ternary polypeptides using ant algorithm
Keywords: شیمی تئوری; Theoretical chemistry; Ant algorithms; Biopolymers; Polypeptides; Electronic properties;
Theoretical investigations on model ternary polypeptides using genetic algorithm-Some new results
Keywords: شیمی تئوری; Theoretical chemistry; Genetic algorithm; Biopolymers; Polypeptides; Electronic structures; Band gap;
Reaction of acetaldehyde with zirconium: A density functional theoretical study
Keywords: شیمی تئوری; Theoretical chemistry; Density functional calculations; Potential energy surfaces; Zirconium; Acetaldehyde;
Change in optimum genetic algorithm solution with changing band discontinuities and band widths of electrically conducting copolymers
Keywords: شیمی تئوری; Copolymers; Electronic properties; Genetic algorithm; Theoretical chemistry; Artificial Intelligence; Conducting polymers;
Designing Type-II staggered model ternary copolymers using ant algorithm
Keywords: شیمی تئوری; Theoretical chemistry; Conducting polymers; Copolymers; Electronic structures; Conduction properties; Band gap; Ant algorithm; Artificial intelligence;
Molecular designing of novel ternary copolymers of donor-acceptor polymers using genetic algorithm
Keywords: شیمی تئوری; Theoretical chemistry; Genetic algorithm; Conducting polymers; Electronic structures; Copolymers; Donor-acceptor polymers; Band gap;
Theory meets experiment: Gas-phase chemistry of coinage metals
Keywords: شیمی تئوری; Catalysis; Coinage metals; Copper; Gold; Mass spectrometry; Silver; Theoretical chemistry
Degradation of lisinopril: A physico-chemical study
Keywords: شیمی تئوری; Lisinopril; Theoretical chemistry; Thermal analysis; X-ray powder diffractometry; IR-spectra
Spectroscopy of Ru(II) polypyridyl complexes used as intercalators in DNA: Towards a theoretical study of the light switch effect
Keywords: شیمی تئوری; Spectroscopy; Ruthenium polypyridyl; Photophysics; Theoretical chemistry; DNA intercalators