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<body class='hmmessage'><div dir='ltr'>Hi,<div> I read the posting guidelines and then found that there is no search for the forum archives.</div><div><br></div><div>I have a simple question.</div><div><br></div><div>Does QE calculate ring-strain? I asked to look at a reaction where an oxirane-ring is opened into a ring with effectively no ring-strain BUT having looked at the values quoted in many books for the ring-strain of oxiranes, I realized ChemBio3D was giving a total value for energy of combustion LOWER than the value quoted for the ring-strain.</div><div><br></div><div>I have searched and discovered that the US military had software designed to calculate energy of combustion (aimed at designing explosives, I presume) but that it is no longer in use.</div><div><br></div><div>Any 1-sentence answer would be much appreciated.</div><div><br></div><div><br></div><div>Thank you to you all and my best wishes to you and to everyone you care for,</div><div>Sean</div> </div></body>
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