Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 6 of 6 for “"SSIP"”.
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The SSIP approach to solvation
… group, the Surface Site Interaction Point (SSIP) model of intermolecular interactions has been used to describe molecules as a set of discrete hydrogen bonding sites. In this thesis I describe the prediction of phase properties using this molecular description, after giving an introduction …
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The role of caregiver-reported emerging social attention in predicting duration of orienting and social communication
… life with a novel, experimental scale (PediaTrac SSIP). This investigation is part of a larger prospective, longitudinal investigation with a sample of 571 caregivers of infants (48% female) who were born either full term (<em>N</em> = 331; 49% female) or preterm (<em>N</em> = 240; 46% female). …
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Utilizing pQCT and Biomarkers of Bone Turnover to Study Influences of Physical Activity or Bariatric Surgery on Structural and Metabolic Status of Bone
… tibial measures and polar strength-strain index (SSIp) indicated differences along the tibial shaft. Comparing the two instruments and adjusting for BMI, the DXA leg and hip BMD and BMC showed differences (p<0.05) between PA-M and PA-L as well as PA-H and PA-L. Similarly, the pQCT tibial cortical …
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A SSIMPLE Approach to Surfactant Self-Assembly using DPD Simulations
… and coarse grain (CG) approaches such as dissipative particle dynamics (DPD), where molecule fragments are merged into a single entity, are preferred. For CG simulations, finding the correct interaction between beads is a crucial step to obtain the correct behaviour of the simulated system. …
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Remodelling Surface Site Interaction Points
The Surface Site Interaction Point (SSIP) model describes the non-covalent interaction properties of molecules by abstracting a discrete number of points on the van der Waals surface of molecules. Each point is assigned a value based on empirical interaction scales and the calculated Molecular …
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The Atom Surface Site Interaction Point Approach to Non-Covalent Interactions
Advances in theoretical chemistry allowed us to discover the equations that describe the electronic structure of the atoms but also informed us that such accurate calculations are very expensive indeed. To look at larger supramolecular or biomolecular systems, or to investigate the effects of …