搜索结果: 46-60 共查到“理学 Calculations”相关记录127条 . 查询时间(0.017 秒)
Evaluating and Improving Semi-analytic modeling of Dust in Galaxies based on Radiative Transfer Calculations II: Dust Emission in the Infrared
galaxies evolution - galaxies dust
2010/11/10
Interstellar dust grains are responsible for modifying the spectral energy distribution
(SED) of galaxies, both absorbing starlight at UV and optical wavelengths and con-verting this energy into ther...
The study of the Three Nucleon Force in full QCD Lattice calculations
Three Nucleon Force full QCD Lattice calculations
2011/1/7
We study the three nucleon force in the triton channel using dynamical clover fermion lattice
QCD. The Nambu-Bethe-Salpeter wave function is utilized to obtain the potentials among three
nucleons.
Comment on "Response calculations with an independent particle system with an exact one-particle density matrix''
calculations independent particle system one-particle density matrix
2010/11/16
We point out an error in the argument [PRL 105, 013002 (2010)] that the time independence of the occupation numbers in the adiabatic approximation follows from the invariance of the ground-state inter...
Effective Field Theory and High-Precision Calculations of Nuclear Electroweak Processes
Effective Field Theory High-Precision Calculations of Nuclear Electroweak Processes
2011/1/7
High-precision calculations of electroweak processes in light nuclei are of great importance
for multiple reasons. Gerry Brown together with Dan-Olof Riska published in 1972 a famous calculation on r...
Parallelizing the QUDA Library for Multi-GPU Calculations in Lattice Quantum Chromodynamics
the QUDA Library Multi-GPU Calculations
2011/1/6
Graphics Processing Units (GPUs) are having a transformational effect on numerical lattice quantum chromodynamics (LQCD) calculations of importance in nuclear and particle physics. The QUDA library pr...
Transport calculations in complex materials: A comparison of the Kubo formula, the Kubo-Greenwood formula and the microscopic response method
Transport calculations complex materials Kubo-Greenwood formula microscopic response method
2010/11/18
Recently we have introduced the microscopic response method (MRM) to compute the conductivity
and Hall mobility for complex system with topological and thermal disorder, which is more
convenient tha...
Effect of Radiative Levitation on Calculations of Accretion Rates in White Dwarfs
Solar and Stellar Astrophysics (astro-ph.SR)
2010/12/29
Elements heavier than hydrogen or helium that are present in the atmospheres of white dwarfs with effective temperatures lower than 25,000 K, are believed to be the result of accretion. By measuring t...
A theoretical study of the effects of polar substitution on the activation barriers for internal rotation around the C-N bond in p-substituted nitrosobenzenes: comparison of DFT and MP2 calculations
Para-substituted nitrosobenzenes C-N bond rotation polar substituent effect
2010/10/18
The activation barriers for internal rotation around the C-N bond in p-substituted nitrosobenzenes were calculated using the density functional theory (DFT) and second-order Møller-Plesset (MP2...
Multiloop calculations with Implicit Regularization in massless theories
Regularization Renormalization Multiloop calculations
2010/6/30
We establish a systematic way to calculate multiloop amplitudes of infrared safe massless models with Implicit Regularization (IR), with a direct cancelation of the fictitious mass introduced by the p...
Structural Analysis of High-Silica Ferrierite with Different Structure-Directing Agents by Solid-State NMR and Ab Initio Calculations
Structural Analysis High-Silica Ferrierite Structure-Directing Agents Solid-State NMR Calculations
2010/9/19
The host-guest interaction in high-silica ferrierite (FER) with different structure-directing agents (SDA), pyridine and piperidine, was analyzed by solid-state 29Si NMR relaxation experiments and mol...
Graphene to graphite: electronic changes within DFT calculations
Graphene Bilayer graphene Multilayer graphene Graphite Density functional theory
2010/7/8
Calculations based on the first-principles pseudopotential plane-wave method and density-functional theory are performed to investigate the electronic properties of graphene, bilayer graphene, multila...
Reactions of the solvent-stabilized compound [MoOCl2(THF)2] with aromatic nitrogen donor ligands: spectroscopic characterization and semiempirical AM1* calculations
Mo(VI) complexes oxo-imido complexes oxomolybdenum complexes oxygen atom
2010/4/8
Reaction of the solvent-stabilized dioxo-molybdenum(VI) compound [MoO2Cl2(THF)2] with PPh3 yielded the oxomolybdenum(IV) species [MoOCl2(THF)2] (1) by the removal of one oxygen atom as PPh3O. The comp...
Spectroscopic studies and Hartree-Fock ab initio calculations of a substituted amide of pyrazine-2-carboxylic acid - C16H18ClN3O
Amides of pyrazine carboxylic acid IR Hartree-Fock ab initio calculations, hyperpolaziability
2010/4/8
A substituted amide of pyrazine-2-carboxylic acid was prepared and the IR spectrum was recorded and analysed. The compound prepared was identified by NMR and mass spectra. The vibrational frequencies ...
Synthesis of methyl (E)-2',4''-thiazachalcones and their N-alkyl derivatives, photochemistry with theoretical calculations and antimicrobial activities
Thiazachalcones N-decyl-4-thiazaclaconium bromide photodimerization antimicrobial activity
2010/4/8
A series of 9 new (E)-thiazachalcones (1-3), and their N-alkyl substituted derivatives (4-6), and stereoselective dimerization products (7-9) were synthesized, then tested for antimicrobial activity a...
The impact of MM5 and WRF meteorology over complex terrain on CHIMERE model calculations
MM5 WRF meteorology CHIMERE model calculations
2009/9/14
The objective of this study is to evaluate the impact of meteorological input data on calculated gas and aerosol concentrations. We use two different meteorological models (MM5 and WRF) together with ...