Can heats of sublimation and melting points of organic crystals be predicted?

Capturing the Crystal: Prediction of Enthalpy of Sublimation, Crystal Lattice Energy, and Melting Points of Organic Compounds

Accurate computational prediction of melting points and aqueous solubilities of organic compounds would be very useful but is notoriously difficult. Predicting the lattice energies of compounds is key to understanding and predicting their melting behavior and ultimately their solubility behavior. We report robust, predictive, quantitative structure-property relationship (QSPR) models for enthal...

Can Cascades be Predicted?

A famous instance is a picture of a receipt taken by a customer at a hunting and fishing chain store called Cabela. The receipt listed a 2.3%“medical excise tax,” which was supposedly levied as part of the Affordable Care Act. This was seen as evidence that there is a hidden tax that consumers are paying for the ACA. The store later cleared this up as being a “software glitch” on their part. Th...

synthesis of 3-aryl-2h-benzo[b]-1,4-oxazines in [omim]bf4 and reduction of organic compounds in methylimidazolium formate

در این پروژه ترکیبات 3-آریل-2h-بنزو[b]-4،1-اکسازین ها از مواد اولیه تجاری مشتقات دو آمینو فنول و ?-هالو کتون های آروماتیک در مایع یونی 1-اکتیل-3-متیل ایمیدازولیوم تترا فلورو بورات([omim]bf4) سنتز شده است. این واکنش توسط باز پتاسیم کربنات محلول از طریق o-آلکیلاسیون و سپس یک واکنش آمیداسیون درون مولکولی خود بخود در مدت زمان کوتاه انجام می شود. ترکیبات 4،1-بنزوکسازین به این روش با بهره خوب تا آلی ...

Can ICU admission be predicted?

Can recurrence of meningiomas be predicted?

After resection of meningiomas the clinical evolution remains problematic, as no clear-cut predictive criteria are available. In vitro evaluation of meningiomas might help to predict their evolution in vivo after resection. For this goal a confrontation model was tested. A group of 105 patients operated for meningiomas between 1986 and 1997 were reviewed at 3, 5, 10 and 15 years for tumour evol...