In this paper, we report the stability of the Li(HF) 3 molecular anion calculated at the MP2/631++G** and CCSD(T)/6-31++G** level of theory. Five possible conformers of Li(HF) 3 molecular anions have been determined employing ab initio MP2 method with 6-31++G** basis set. The most stable conformer of five Li(HF) 3 anions is in a cyclic ring structure Li(HF) 3 (1). From our calculations we show ...

The efficiency of conversion of precursor ions to observable products for electron detachment dissociation (EDD) was measured as a function of the key experimental parameters to determine their optimal values for the Fourier transform mass spectrometry analysis of anionic glycosaminoglycan carbohydrates. These parameters include electron current, electron energy, dispenser cathode heater curren...

a dog was presented with history of progressive generalized subcutaneous emphysema and exercise intolerance secondary to dog fight. radiographic evaluation confirmed extensive subcutaneous emphysema, pneumomediastinum and pneumoretroperitoneum. surgical exploration revealed cricoid cartilage longitudinal fracture and cricotracheal detachment. the fractured cartilage was sutured and the cricoid ...

purpose: to compare the anatomical results of scleral buckling with or without retinopexy and to assess the effect of retinopexy on outcomes of the operation.  methods: this interventional case series was performed on 22 patients undergoing scleral buckling (segmental or encircling) with or without subretinal fluid drainage and without any type of retinopexy and 33 patients who received transsc...

objective: to determine the sensivity and specifity of ocular ultrasonography in detecting vitreoretinal lesion prior to deep vitrectomy in patients with opaque media. method: the hospital records of patients undergoing deep vitrectomy in a defined period at shiraz khalili hospital were reviewed. sonographic reports given by a sonologist and operation reports given by a vitreoretinal fellowship...

OBJECTIVE To investigate the morphological features of chronic inflammatory demyelinating polyneuropathy (CIDP) with autoantibodies directed against paranodal junctional molecules, particularly focusing on the fine structures of the paranodes. METHODS We assessed sural nerve biopsy specimens obtained from 9 patients with CIDP with anti-neurofascin-155 antibodies and 1 patient with anti-contac...

We have investigated the structural and electronic properties of the B(17)(-) and B(18)(-) clusters using photoelectron spectroscopy (PES) and ab initio calculations. The adiabatic electron detachment energies of B(17)(-) and B(18)(-) are measured to be 4.23 ± 0.02 and 3.53 ± 0.05 eV, respectively. Calculated electron detachment energies are compared with experimental data, confirming the prese...

A high-order perturbation theory is presented for efficient and accurate computation of multiphoton and above-threshold ionization cross sections of atoms and molecules in weak to medium strength laser fields. The procedure is based on a Raleigh-Schrödinger perturbative expansion of the time-independent non-Hermitian Floquet Hamiltonian. The reduced Green function and generalized pseudospectral...

Conventional ~valence! and dipole-bound anions of the nitromethane molecule are studied using negative ion photoelectron spectroscopy, Rydberg charge exchange and field detachment techniques. Reaction rates for charge exchange between Cs(ns ,nd) and Xe(n f ) Rydberg atoms with CH3NO2 exhibit a pronounced maximum at an effective quantum number of n*'1361 which is characteristic of the formation ...

Previously, Turi and Borgis [J. Chem. Phys. 117, 6186 (2002)] parametrized an electron-water interaction potential, intended for use in simulations of hydrated electrons, by considering H(2)O(-) in the "static exchange" (essentially, frozen-core Hartree-Fock) approximation, then applying an approximate Phillips-Kleinman procedure to construct a one-electron pseudopotential representing the elec...