نتایج جستجو برای: gaussian 03

تعداد نتایج: 107607  

A novel Pyridine-2,6-dicarboxylic acid mixed ligands complex of formula [Co(NO3)2].6H2O has been obtained by the reaction of Pyridine-2,6-dicarboxylic acid with cobalt nitrate and 1,10-phenanthroline on heating in water. The structures of [Co(pydc)(Phen)(H2O)](pydcH2).4H2O receptors, and their complexes were optimized using DFT method at the B3LYP/3-21G** level. The highest occupied molecular o...

Compound (N,N-bis (salicylidene) 1,2-diaminophenylene) was prepared by condensation of ethanolsolution of 2-Hydroxybanzaldehyde and 1,2-diaminophenylene. The compound was characterized by1H NMR, infrared spectroscopy (FT-IR) data and analytical data. The geometrical parameters andenergies have been obtained from Density Functional Theory (DFT) B3LYP method and Hartree-Fock (HF) method with 3-21...

Journal: :CoRR 2017
Pin-Hsun Lin Eduard A. Jorswieck Rafael F. Schaefer Martin Mittelbach Carsten Rudolf Janda

In this paper, we investigate the ergodic capacity of fast fading Gaussian multiuser channels when only the statistics of the channel state are known at the transmitter. In general, the characterization of capacity regions of multiuser channels with only statistical channel state information at the transmitter (CSIT) is open. Instead of directly matching achievable rate regions and the correspo...

Journal: :CoRR 2006
Nan Liu Sennur Ulukus

We investigate the optimal performance of dense sensor networks by studying the joint source-channel coding problem. The overall goal of the sensor network is to take measurements from an underlying random process, code and transmit those measurement samples to a collector node in a cooperative multiple access channel with potential feedback, and reconstruct the entire random process at the col...

Journal: :European Physical Journal C 2023

Abstract The most fascinating dibaryon in the non-strange quark sector is $$d^*(2380)$$ d ∗ ( 2380 ) , which was reported by WASA-at-COSY Collaboration and confirmed A2@MAMI Collaboration. mass de...

Journal: :International Journal of Machine Learning and Networked Collaborative Engineering 2019

2014
MASOOME SHEIkHI MOHAMMAD MAHMOODI

The density functional theory (DFT) calculations at the level of B3LYP/6-31G was carried out on the structure 4(5)-Imidazole-carbaldehyde-N(5)-phenylthiosemicarbazone (ImTPh) in gas phase using Gaussian 03. Dipole moment (Debye), energy of structure formation (HF; kcal/mol) and point group, NMR parameters such as isotropic shielding (σiso) and anisotropic shielding (σaniso), σ11, σ22 and σ33 ob...

Journal: :journal of physical and theoretical chemistry 0
mohammad mahdi akbarzadeh building chemical engineering, setoodeh bana co., jomhori st., p.o. box 13187-63715, tehran, iran khirollah mehrani department of chemistry, ardabil branch, islamic azad university, p.o. box 56157-31567, ardabil, iran shahriar ghammamy faculty of sciences, science and research branch, islamic azad university, p.o. box 14778-93855, tehran, iran vahideh hadigheh rezvan department of chemistry, imam khomeini international university, p.o. box 34148 - 96818 qazvin, iran

compound (n,n-bis (salicylidene) 1,2-diaminophenylene) was prepared by condensation of ethanolsolution of 2-hydroxybanzaldehyde and 1,2-diaminophenylene. the compound was characterized by1h nmr, infrared spectroscopy (ft-ir) data and analytical data. the geometrical parameters andenergies have been obtained from density functional theory (dft) b3lyp method and hartree-fock (hf) method with 3-21...

Journal: :Journal of physics 2021

Abstract M-ary frequency shift keying (FSK) is a low-power, low-data-rate modulation scheme currently used by manufacturers of data transmission equipment. Inter symbol interference (ISI) occurs in all communication systems. To analyze the effect raised cosine filter and adaptive equalizer on reducing ISI, binary FSK (BFSK) technique has been studied extensively this research. In study, we have...

Journal: :journal of physical and theoretical chemistry 0
farideh keshavarz rezaei -

the physical and chemical properties of pyrazole and pyrazoline molecules were theoreticallystudied by gaussian 03, software with nmr and molecular orbital calculations at b3lyp/6-31g andb3lyp/6-31+g(d) levels, in gas phase and solution. in this study a comparison effect of threesolvents with different dielectric constants on pyrazole and pyrazoline molecules in aspect energyinteraction between...

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