On Friday, March 10, 2017 9:50:06 AM CET Yedu Kondalu wrote: > Can some body suggest me to carry out the high pressure calculations for > single molecules ?
What do you mean by high pressur of single molecules? If the molecules are still in a gas phase, then the effect is almost exclusively thermodynamics; on the other if the pressure is high enough that the molecules aggregate as a crystal, then it is a crystal and should be thretaed as such. hth -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Université Paris 6 phone: +33 (0)1 442 79822 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
