density functional (dft) calculations at m05-2x/aug-cc-pvdz level were used to analyze the interactions between dimethyl sulfoxide (dmso) dimers. the structures obtained have been analyzed with the atoms in molecules (aims) and natural bond orbital (nbo) methodologies. four minima were located on the potential energy surface of the dimers. three types of interactions are observed, ch•••o, ch•••...

Submitted for the MAR11 Meeting of The American Physical Society Spectroscopic and Theoretical Investigations of the Potential Energy Surfaces of Molecules with Intramolecular π-type Hydrogen Bonding1 ESTHER OCOLA, HEE-WON SHIN, ABDULAZIZ AL-SAADI, JAAN LAANE, Texas A&M University — Spectroscopic methods and theoretical calculations have been utilized to investigate the conformations of several...

Negative attitudes of mothers towards their infant is conceptualized as postpartum bonding disorder, which leads to serious health problems in perinatal health care. However, its measurement still remains to be standardized. Our aim was to examine and confirm the psychometric properties of the Postnatal Bonding Questionnaire (PBQ) in Japanese mothers. We distributed a set of questionnaires to c...

The role of the closing lecture in a Faraday Discussion is to summarise the contributions made to the Discussion over the course of the meeting and in so doing capture the main themes that have arisen. This article is based upon my Closing Remarks Lecture at the 203rd Faraday Discussion meeting on Halogen Bonding in Supramolecular and Solid State Chemistry, held in Ottawa, Canada, on 10-12th Ju...

Abstract The particleboard (PB) production is an extremely complex process, many operating parameters affecting panel quality. It a big challenge to optimize the PB parameters. of particle gluing have important influence on internal bond (IB) strength PB. In this study, using grey relation analysis (GRA) and support vector regression (SVR) algorithm, prediction model was developed accurately pr...

In order to understand the structure-property relationship, SPR, an energypartitioning quest for the origin of the barrier to the internal rotation of two iso-structural molecules, hydrogen peroxide, H2O2, and fluorine peroxide, F2O2 is performed. The hydrogen peroxide is an important bio-oxidative compound generated in the body cells to fight infections and is an essential ingredient of our im...