По вашему запросу найдено документов: 20068
Страница 16 из 2007
Accurate line intensities of methane from first-principles calculations://theorets.univ-reims.fr, http://theorets.tsu.ru) that contains ab initio born line lists and provides a user-friendly graphical
First theoretical global line lists of ethylene (12C2H4) spectra for the temperature range 50-700 K in the far-infrared for quantification of absorption and emission in planetary atmospheres 50−700 K based on accurate ab initio potential and dipole moment surfaces and extensive first
Franck-Condon factors and vibronic patterns of singlet-triplet transitions of 16O3 molecule falling near the dissociation threshold and above of the ozone molecule (O3 ). The XMCQDPT2 ab initio method including the static and dynamic electronic
Impact of Defects on Electronic Properties of Heterostructures Constructed From Monolayers of Transition Metal Dichalcogenides) of MoS2, WS2, WSe2, and MoSe2 are ab initio simulated with an emphasis to the stacking peculiarities
Calculation of the structure and nuclear magnetic shielding constants of some H-bonded carbon acid complexes acids and their complexes with water and dimethylsulfoxide) were studied by ab initio methods using MP2
Cooperative intramolecular hydrogen bond and conformations of thiocalix[4]arene moleculesThe joint FTIR spectroscopic study and ab initio quantum-chemical calculations (HF/3-21G and PBE
Ab initio studying of topological insulator Bi2Se3 under the stress performed ab initio calculations of topological insulator Bi2Se3 under the stress for bulk and surface
Mutual orientation of electric intracrystalline and magnetic fields in iron borate single crystalsX-ray structural analysis, Mssbauer spectroscopy, and ab-initio calculations were used to study
The vibrational spectra of 1,3-dithiane-1-oxide and 1,3-dithia-1- oxocyclohept-5-ene°(Ca - Ce) = 380 ± 40 cal mol-1 (I) and ΔH° (Be - Ce) = 400 ± 100 cal mol-1 (II). Ab initio calculations
Страница 16 из 2007
Фасеты
Партнеры
Индексация
