Hi Michael. I think ChemCompute can do= what you need (https://chemcompute.or= g/). It's pretty straightforward to use, and you can use more resou= rces with an institutional email. I use it in my teaching and works perfect= ly.=C2=A0

Regards,

Dr. Fra= ncisco N=C3=BA=C3=B1ez Zarur

El vie, 6 sept 2024 a las 15:52, = Michael Morgan michaelmorgan937]-[gmail.com (<owner-chemistry%a%ccl.net>) escribi=C3=B3:

Sent to CCL by: "Michael=C2=A0 Morgan" [michaelmorgan937*gmail.com] Hi everyone,

Is there any web application I can use to draw a structure, request a simpl= e,
on-the-fly qm calculation, and show a specific orbital from the calculation=
result? It is for an undergraduate class, so the orbital plot just need to = be
qualitatively correct. Semi-empirical calculations should do the job.

Any suggestion? Thank you very much.
Michael

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--00000000000035b29d062179df26-- From owner-chemistry@ccl.net Fri Sep 6 17:50:01 2024 From: "John Keller jwkeller!^!alaska.edu" To: CCL Subject: CCL: web application for orbital calculation and plot Message-Id: <-55217-240906172432-15211-xBz9zx2R/HDps/BgEiTFuQ]*[server.ccl.net> X-Original-From: John Keller Content-Type: multipart/alternative; boundary="0000000000000ca83706217a086c" Date: Fri, 6 Sep 2024 13:24:14 -0800 MIME-Version: 1.0 Sent to CCL by: John Keller [jwkeller::alaska.edu] --0000000000000ca83706217a086c Content-Type: text/plain; charset="UTF-8" Content-Transfer-Encoding: quoted-printable WebMO demo page is free. https://www.webmo.net/demo/ Its fast: an MO calculation on acrolein took 3 sec/ On Fri, Sep 6, 2024 at 12:48=E2=80=AFPM Michael Morgan michaelmorgan937]-[g= mail.com wrote: > > Sent to CCL by: "Michael Morgan" [michaelmorgan937*gmail.com] > Hi everyone, > > Is there any web application I can use to draw a structure, request a > simple, > on-the-fly qm calculation, and show a specific orbital from the > calculation > result? It is for an undergraduate class, so the orbital plot just need t= o > be > qualitatively correct. Semi-empirical calculations should do the job. > > Any suggestion? Thank you very much. > Michael > > > > -=3D This is automatically added to each message by the mailing script = =3D-> > > --0000000000000ca83706217a086c Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable

WebMO demo page is free.=C2=A0https://www.webmo.net/demo/=C2=A0 Its fast: an=C2=A0 MO cal= culation on acrolein took 3 sec/

On Fri, Sep 6= , 2024 at 12:48=E2=80=AFPM Michael Morgan michaelmorgan937]-[gmail.com <owner-chemistry^_^ccl.net> wrote:

Sent to CCL by: "Michael=C2=A0 Morgan" [michaelmorgan937*gmail.com] Hi everyone,

Is there any web application I can use to draw a structure, request a simpl= e,
on-the-fly qm calculation, and show a specific orbital from the calculation=
result? It is for an undergraduate class, so the orbital plot just need to = be
qualitatively correct. Semi-empirical calculations should do the job.

Any suggestion? Thank you very much.
Michael

-=3D This is automatically added to each message by the mailing script =3D-=
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