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Gaussian Tutorial: How to Build Large Molecules in Gaussview and Running Optimization. 

MD with Gourav
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Using the Mouse in Gaussview:
To Rotate Molecule: Drag using LMB
To Zoom the Molecule: Drag using RMB
To Copy a Molecule in the Clipboard: Ctrl+C
To Paste the Molecule in the Drawing Window: LMB
To Substitute H with a Fragment From the Clipboard: Press LMB on the H atom
To Move the Molecule in the Window: Shift+LMB
To Move a Particular Molecule in a System of Multiple Molecules: Move the cursor to the particular Molecule and press Alt+Shift+LMB.

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25 авг 2024

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Комментарии : 28   
@SAJALPHYS
@SAJALPHYS Год назад
Very informative tutorial. Thank you for your efforts
@housnymaddi
@housnymaddi 13 дней назад
Thank you
@krishnabiswas8895
@krishnabiswas8895 Год назад
Very informative video, Thankyou for the efforts.
@mdwithgourav9263
@mdwithgourav9263 Год назад
Glad to help. Also, thank you for your support!
@rijakhalid2002
@rijakhalid2002 8 месяцев назад
Thank you so much. It was really helpful
@RishabhRaj-wq8se
@RishabhRaj-wq8se 6 месяцев назад
Thankyou so much sir
@user-kx9nm3iw6o
@user-kx9nm3iw6o Год назад
could you tell me please how can I download Gaussview free and install please (out of charges) Is it accessible please ?
@hussnainbarkat8002
@hussnainbarkat8002 Год назад
@MD with gauru Can you tell me how much time takes this molecules during optimization ?
@guenouche2804
@guenouche2804 10 месяцев назад
For me , i can't optimized, have you the same problem ?
@CuriousChroniclesHD
@CuriousChroniclesHD 4 месяца назад
three to eight days!
@guenouche2804
@guenouche2804 10 месяцев назад
Hello, How can i optimized molecule with M=830 g/mol in Gauss
@Dr.P.Nethaji2611
@Dr.P.Nethaji2611 3 месяца назад
Thank you, I need software sir, kindly send me a link
@tutoro7309
@tutoro7309 Год назад
Sir, I have some doubts in making IR spectrum. How can I contact you Sir?
@trishitabose2228
@trishitabose2228 Год назад
Hello Sir, how can i download and install gaussianview 6.0.16 in windows 11 kindly give a way out. Thank you!
@mdwithgourav9263
@mdwithgourav9263 Год назад
GaussView is a paid software. So, either you have to purchase it or have to take it from your friend.
@user-vt7vr4ze2h
@user-vt7vr4ze2h Год назад
What is the name of molecule u build ?
@trivenigangadari9591
@trivenigangadari9591 2 месяца назад
Do we not need to clean the structure after every addition of fragment?
@mdwithgourav9263
@mdwithgourav9263 2 месяца назад
Yes, you can use the clean tool
@hahfrank
@hahfrank Год назад
多懂了一点,thank you,how are you?
@wahidahajaya
@wahidahajaya 5 месяцев назад
My submit button can’t be tap because i can’t install gaussview, Said that this app can’t run on ur pc, check the software publisher. How to fix it sir?
@mdwithgourav9263
@mdwithgourav9263 5 месяцев назад
The Submit tab will remain disabled if you don't have Gaussian installed.
@aratigavali11
@aratigavali11 Год назад
Hello sir, want information for tddft calculations for chemical reactions
@mdwithgourav9263
@mdwithgourav9263 Год назад
Sorry Arati, I am not an expert in TDDFT studies.
@aratigavali11
@aratigavali11 Год назад
@@mdwithgourav9263 ok..thank you Sir
@chaymaesa4638
@chaymaesa4638 Год назад
is there a way to speed up the calculations ?
@mdwithgourav9263
@mdwithgourav9263 Год назад
You can increase the number of shared processors and memory limit as shown in the video.
@chaymaesa4638
@chaymaesa4638 Год назад
@@mdwithgourav9263 yes i modified the processors with 3 and memory with 1 GB But it's has not been completed for three days 🤕
@mdwithgourav9263
@mdwithgourav9263 Год назад
@@chaymaesa4638 It depends on the number of atoms in the system. For larger systems (molecules with around 100 atoms), you have to increase both the processors (try with atleast 16) and memory (may be 5 GB). So, it would be better to use supercomputer server.
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