where ∑ ~n is the sum over all lattice vectors ~n = (Lxnx, Lyny, Lznz), nx,y,z ∈ N and Lx,y,z are the dimensions of the unit MD cell and ~xij = ~xj − ~xi. The “daggered” (†) summation indicates the exclusion of all pairs i = j inside the original unit MD cell (~n = ~0). Most molecular force fields provide exclusion schemes to exclude additional pairs, e.g., the so-called 1-3 exclusion excludes ...

prediction of the heavy metals in the groundwater is important in developing any appropriate remediation strategy. this paper attempts to predict heavy metals (pb, zn and cu) in the groundwater from arak city, using artificial neural network (ann) algorithm by taking major elements (hco3, so4) in the groundwater from arak city. for this purpose, contamination sources in the groundwater were rec...

     The essential oils and aromatic water, known as Arak in traditional Iranian medicine, comes from the aerial part of Teucrium persicum Boiss., which is grown in Fars Province located in Iran. The samples were collected in summer and the oils and aromatic water were obtained through steam distillation. The chemical composition of the oils was analyzed using GC-MS. An analysis of the chemical...

From December 2012 standardised packaging for tobacco products – known as ‘plain packaging’ – has been mandatory in Australia. This paper evaluates the preliminary evidence – in the form of ABS household expenditure on tobacco data – to establish whether the policy has been successful. Despite our econometric efforts, the data refused to yield any indication this policy has been successful; the...

A vast majority of the emails received by people today are machinegenerated by businesses communicating with consumers. While some emails originate as a result of a transaction (e.g., hotel or restaurant reservation confirmations, online purchase receipts, shipping notifications, etc.), a large fraction are commercial emails promoting an offer (a special sale, free shipping, available for a lim...

AIMS To gain insight into the potential impact of plain tobacco packaging policy, two experiments were undertaken to test whether 'prototype' plain compared with branded UK cigarette pack stimuli would differentially elicit instrumental tobacco-seeking in a nominal Pavlovian to instrumental transfer (PIT) procedure. DESIGN, SETTING AND PARTICIPANTS Two experiments were undertaken at the Unive...