Out of some +1000 twitter accounts I follow about a quarter are related computational chemistry. The following public list isn’t comprehensive and prone to errors and contains researchers, programmers, students, journals, products and companies who gravitate around the use of in silico methods for the understanding and design of chemical and biochemical compounds.
A Twitter List by joaquinbarroso //platform.twitter.com/widgets.js
Joaquin Barroso Flores is a member of Chemistry on Mendeley.
In this case if the ES1 PES doesn't have a minimum you can't assume the molecule isn't stable becaus
Hola Alejandro, Entre más grados de libertad tiene una molécula, más complicada será la superficie d
Hola Daniela, Tu problema no está en la base sino en las opciones del SCF, la opción MaxCycle está m
Hola Dr. Barroso, espero se encuentre bien, saludos desde Puebla , México. Estoy interesada en reali
Hola Dr. Barroso, coordial saludo desde Colombia. Estoy interesado en realizar una optimización de l
Thank you so much!
Hi Sir, I am getting a error while doing a enzyme substrate complex optimization by oniom method. Re
Respected sir, Thank you for your kind reply. I will forward my work on your suggested path. Your po
