In this study, the adsorption behavior of the primary, secondary and tertiary alcohols over nanoscale (1 0 0) surface of defect spinel γ-alumina was investigated with the aid of density functional theory (DFT) at BLYP/DNP level of calculation. The influence of different substituents including alkyl, cycloalkyl, allyl and aryl were analyzed for free and adsorbed alcohols to shed light the adsorp...

The density functional theory (DFT) based hybrid-method B3LYP has been used to study the interaction of the nitromethane molecule (CH3NO2) with the Au(111) surface. The perfect Au(111) surface has been represented by a rather large cluster model, Au22, that was in turn used to extract information about the preferred adsorption geometry of the CH3NO2 species. In order to extract energetic inform...

We study a minimal extension of recently proposed modification general relativity that draws on concepts from topological field theory to resolve aspects the cosmological constant problem. In original model, content was augmented include gauge and an adjoint-valued two-form without modifying classical gravitational dynamics. Here we kinetic term for which sources fluctuations constant. then sph...

TOPIC: Lung Cancer TYPE: Fellow Case Reports INTRODUCTION: Pulmonary sequestration is the second most common pulmonary congenital abnormality and rarely associated with malignancy. We present a case of young woman hemoptysis found to have two rare concurrent lung pathologies: carcinoid tumor within sequestration. CASE PRESENTATION: 21 year old female presents following an episode sudden onset h...

The sequestration of rat leukocytes and bone marrow cells by the lung vasculature was studied using an isolated perfused rat lung preparation. The passage of latex particles of 7.6 µm in diameter and non-hematopoietic cells through the lung blood vessels was also studied. Leukocytes and bone marrow cells were reversibly sequestered from circulation, whereas, latex particles and non-hematop...

The classic density-functional theory (DFT) formalism introduced by Hohenberg, Kohn, and Sham in the mid-1960s is based on the idea that the complicated N-electron wave function can be replaced with the mathematically simpler 1-electron charge density in electronic structure calculations of the ground stationary state. As such, ordinary DFT cannot treat time-dependent (TD) problems nor describe...

TD-LTE, one of the two duplexing modes in LTE, operates in unpaired spectrum and has the advantages of TDD-based technologies. It is expected that TD-LTE will be more rapidly deployed in near future and most of WiMax operators will upgrade their networks to TD-LTE gradually. Before completely upgrading to TD-LTE, WiMax may coexist with TD-LTE in an adjacent frequency band. In addition, multiple...