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Showing 25 to 36 of 467 entries
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Steric asymmetry and lambda-doublet propensities in state-to-state rotationally inelastic scattering of NO(2Pi(1/2)) with He.

The Journal of chemical physics

de Lange MJ, Stolte S, Taatjes CA, KÅ‚os J, Groenenboom GC, van der Avoird A.
PMID: 15634135
J Chem Phys. 2004 Dec 15;121(23):11691-701. doi: 10.1063/1.1818123.

Relative integrated cross sections are measured for rotationally inelastic scattering of NO(2Pi(1/2)),hexapole selected in the upper lambda-doublet level of the ground rotational state (j = 0.5), in collisions with He at a nominal energy of 514 cm(-1). Application of...

Ab initio calculation of the NH(3sigma-)-NH(3sigma-) interaction potentials in the quintet, triplet, and singlet states.

The Journal of chemical physics

Dhont GS, van Lenthe JH, Groenenboom GC, van der Avoird A.
PMID: 16292903
J Chem Phys. 2005 Nov 08;123(18):184302. doi: 10.1063/1.2079867.

We present the ab initio potential-energy surfaces of the NH-NH complex that correlate with two NH molecules in their 3sigma- electronic ground state. Three distinct potential-energy surfaces, split by exchange interactions, correspond to the coupling of the S(A) =...

Transcranial magnetic stimulation studies in Alzheimer's disease.

International journal of Alzheimer's disease

Guerra A, Assenza F, Bressi F, Scrascia F, Del Duca M, Ursini F, Vollaro S, Trotta L, Tombini M, Chisari C, Ferreri F.
PMID: 21760985
Int J Alzheimers Dis. 2011;2011:263817. doi: 10.4061/2011/263817. Epub 2011 Jul 06.

Although motor deficits affect patients with Alzheimer's disease (AD) only at later stages, recent studies demonstrated that primary motor cortex is precociously affected by neuronal degeneration. It is conceivable that neuronal loss is compensated by reorganization of the neural...

PyFrag--Streamlining your reaction path analysis.

Journal of computational chemistry

Zeist WJ, Guerra CF, Bickelhaupt FM.
PMID: 17557284
J Comput Chem. 2008 Jan 30;29(2):312-5. doi: 10.1002/jcc.20786.

The PyFrag program (released as PyFrag2007.01) is a "wrap-around" for the Amsterdam Density Functional (ADF) package and facilitates the extension of the fragment analysis method implemented in ADF along an entire potential energy surface. The purpose is to make...

Spectroscopic investigations and potential energy surfaces of the ground and excited electronic states of 1,3-benzodioxan.

The Journal of chemical physics

McCann K, Wagner M, Guerra A, Coronado P, Villarreal JR, Choo J, Kim S, Laane J.
PMID: 19655862
J Chem Phys. 2009 Jul 28;131(4):044302. doi: 10.1063/1.3169504.

The laser-induced fluorescence spectra (both fluorescence excitation and dispersed fluorescence) of jet-cooled 1,3-benzodioxan along with its ultraviolet absorption spectra have been recorded and analyzed in order to determine the vibrational quantum levels in both the ground and S(1)(pi,pi(*)) electronic...

A snapshot of a coordination polymer self-assembly process: the crystallization of a metastable 3D network followed by the spontaneous transformation in water to a 2D pseudopolymorphic phase.

Chemical communications (Cambridge, England)

Bataille T, Costantino F, Ienco A, Guerri A, Marmottini F, Midollini S.
PMID: 19048162
Chem Commun (Camb). 2008 Dec 21;(47):6381-3. doi: 10.1039/b813222d. Epub 2008 Nov 04.

A metastable copper(II) 3D hybrid with 4,4'-bipyridine (4,4'-bipy) and P,P'-diphenylethylenediphosphinate (pc2p(2-)) undergoes a spontaneous, quantitative, transformation to a stable 2D polymorphic species either spontaneously in water, or after thermal dehydration followed by hydration.

Experimental determination of the phase in a speckle pattern by temporal modulation of a reference field.

Applied optics

Guerri G, Molesini G, Da Costa G.
PMID: 20424672
Appl Opt. 1984 Feb 15;23(4):524-6. doi: 10.1364/AO.23.000524.

No abstract available.

Stereocontrol mechanism in CO/p-methylstyrene copolymerisation catalysed by aryl-alpha-diimine Pd(II) complexes.

Chemical communications (Cambridge, England)

Carfagna C, Gatti G, Mosca L, Passeri A, Paoli P, Guerri A.
PMID: 17971982
Chem Commun (Camb). 2007 Nov 21;(43):4540-2. doi: 10.1039/b707107h. Epub 2007 Aug 21.

Structural analysis of the first steps of isotactic CO/p-methylstyrene copolymerisation, catalysed by aryl-alpha-diimine Pd(II) complexes, highlights the influence of steric effects on the stereoselectivity of olefin insertion.

Dynamics of OH(2pi)-He collisions in combined electric and magnetic fields.

Faraday discussions

Tscherbul TV, Groenenboom GC, Krems RV, Dalgarno A.
PMID: 20151541
Faraday Discuss. 2009;142:127-41; discussion 221-55. doi: 10.1039/b819198k.

We use accurate quantum mechanical calculations to analyze the effects of parallel electric and magnetic fields on collision dynamics of OH(2pi) molecules. It is demonstrated that spin relaxation in 3He-OH collisions at temperatures below 0.01 K can be effectively...

Dietary treatment of nephrolithiasis.

Clinical cases in mineral and bone metabolism : the official journal of the Italian Society of Osteoporosis, Mineral Metabolism, and Skeletal Diseases

Nouvenne A, Meschi T, Guerra A, Allegri F, Prati B, Borghi L.
PMID: 22460996
Clin Cases Miner Bone Metab. 2008 May;5(2):135-41.

The prevalence of idiopathic nephrolithiasis is increasing in rich countries. Dietary manipulation could contribute to the prevention of both its first appearance and the recurrence of the disease. The target of dietary treatment is to decrease the "urinary lithogenic...

Current ventilatory management of patients with acute lung injury/acute respiratory distress syndrome.

Expert review of respiratory medicine

Guerin C, Richard JC.
PMID: 20477228
Expert Rev Respir Med. 2008 Feb;2(1):119-33. doi: 10.1586/17476348.2.1.119.

The current main objective of mechanical ventilation during acute respiratory distress syndrome (ARDS) is to improve oxygenation while preventing ventilator-induced lung injury (VILI) in order to save a patient's life. The major determinants of VILI are both hyperinflation of...

Metals of the bottom muds in Belize City Harbor, Belize.

Environmental pollution (Barking, Essex : 1987)

Gibbs RJ, Guerra C.
PMID: 15093355
Environ Pollut. 1997;98(1):135-8. doi: 10.1016/s0269-7491(97)00092-4.

Seven bottom samples extending from the ocean up through Belize Harbor and City were acid leached (EPA method 200.7) and analyzed using inductively coupled plasma spectrometry to measure the bioavailability of Cd, Cr, Cu, Pb and Zn. Soil and...

Showing 25 to 36 of 467 entries