Dear friend Ali Choopanian Benis

I'm sorry but I couldn't find any information on how to simulate passing a CO2 molecule from a nano pore graphene using GaussView6 with a scan between +4A° and -4.

Could you please provide more details on what you are trying to achieve? What is your end goal?

I found some useful references for you.

Source:

(1) High-efficiency CO2 separation using hybrid LDH-polymer ... - Nature. https://www.nature.com/articles/s41467-021-23121-z.

(2) Graphene oxide membranes with stable porous structure for ultrafast .... https://www.nature.com/articles/s41565-020-00833-9.

(3) How much CO2 and H2S could be removed using a 3A molecular sieve .... https://www.researchgate.net/post/How-much-CO2-and-H2S-could-be-removed-using-a-3A-molecular-sieve-adsorbent.

(4) Effective removal of methane using nano-sized zeolite 4A synthesized .... https://www.sciencedirect.com/science/article/pii/S138770031931010X.

(5) Efficient electrocatalytic valorization of chlorinated organic water .... https://www.nature.com/articles/s41565-022-01277-z.

(6) Synthesis and characterization of reduced-graphene oxide/TiO2. https://www.sciencedirect.com/science/article/abs/pii/S0264127515301854.

(7) Lung-RADS Category 3 and 4 Nodules on Lung Cancer Screening in ... - PubMed. https://pubmed.ncbi.nlm.nih.gov/35080453/.

(8) GMD - Computation of longwave radiative flux and vertical heating rate .... https://gmd.copernicus.org/articles/15/5211/2022/.

(9) Synthesis of Highly Twisted and Fully π Conjugated Porphyrinic Oligomers. https://pubs.acs.org/doi/pdf/10.1021/ja511905f.

Dear @Kaushik Shandilya, thank you for your help.

let me explain it with details. I want to study passing possibility of CO2 molecule through a nano pore graphene with scan and examining its energy level. CO2 starts from +4 in z axis to -4. how can I add this distance in gaussview?

I attached an image of my desire which want to achieve it.

You need to find the transition state (1 imaginary frequency) when the CO2 is in the center of the hole. Then you have to follow the trajectories to each side to generate the energy profile.