نتایج جستجو برای: Antrim NMR parameters
تعداد نتایج: 634819 فیلتر نتایج به سال:
we have evaluated the nmr shielding tensors for active site of oxidized ayurin azurin is classified to atype i copper protein with et functionality. we have computed nmr shielding tensor at .133lyp and idlevels by usum 6-3ig basis set in the gas phase and in different solvents such as water, hmso,nitromethane, methanol, ethanol, acetone ,dicholoroethane. these solvents represent a wide range of...
as drug delivery systems nanoparticulan widely investigated because of many advantages such as smaller size,controlled drug release potential targeting ability, enhancement of therapeutic efficacy and reduction oftoxicity. so, carbon nanotubes have recently received considerable attention as alternative drug delivery carrierin this study we investigate interaction of tamoxifen with open-end of ...
We have evaluated the NMR shielding tensors for active site of oxidized ayurin Azurin is classified to atype I copper protein with ET functionality. We have computed NMR shielding tensor at .133LYP and IDlevels by usum 6-3IG basis set in the gas phase and in different solvents such as water, HMSO,Nitromethane, methanol, ethanol, acetone ,dicholoroethane. These solvents represent a wide range of...
abstract the structural and electrostatic properties of the single-walled two representative (8, 0) zigzag and (4, 4) armchair models of pristine and gaas-doped on boron phosphide nanotubes (bpnts) was investigated by calculating the nuclear magnetic resonance tensors and with performing the density function theory. the geometrical structures of all representative pristine and gaas-doped models...
79th Meeting of the Ulster Society of Internal Medicine, Friday 16 May 2008 Postgraduate Centre, Antrim Area Hospital
in this study the chemical properties of b6c4si and c16 clusters connected vitamin c have been investigated using density functional theory (dft). nmr parameters and homo- lumo gap energy are calculated by using density functional method (b3lyp) with 6-311g* basis set. calculations show that homo- lumo gap energy of vitamin c decreases after connecting to b6c4si or c16 cluster decreasing of hom...
1Department of Anaesthesia and IntensiveMedicine, 1stMedical Faculty, CharlesUniversity in Prague andGeneralUniversityHospital, Ulice Nemocnice 2, 120 21 Prague, Czech Republic 2Norwich Research Park, University of East Anglia, Norwich, Norfolk NR4 7TJ, UK 3Department of Anesthesia, University of Iowa Hospitals and Clinics, Iowa City, IA 52242-1009, USA 4Department of Anesthesiology and Reanima...
SINCE the cytology service was begun in this area cervical smears have been taken routinely at postnatal and gynaecological clinics. Positive smears thus obtained have been purposely excluded from the present series which refers only to asymptomatic women. Initial requests to practitioners to refer such patients met with a very disappointing response and it was decided to begin an organised pro...
the interaction of anticancer drug sn (ch3)2(n-acetyl-l-cysteinate) with carbon nanotube (cnt)is investigated by quantum chemical ab initio calculations at fif/ (lanl2dz+sto-3g) and hf/(lanl2dz+6-31g) levels in gas phase and solution. the solvent effect is taken into account viathe self-consistent reaction field (scrf) method. carbon nanotubes can act as a suitable drugdelivery vehicle for inte...
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