General NBO Discussion
113 topics • Page 1 of 5 • 1, 2, 3, 4, 5
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- Deletions via Orca
by Top_Cat » Mon Mar 19, 2018 10:32 am - 4 Replies
- 238 Views
- Last post by Top_Cat
Thu Mar 22, 2018 10:39 am
- Deletions via Orca
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- Why does NRT not respect symmetry?
by martin » Wed Jan 31, 2018 9:44 am - 2 Replies
- 809 Views
- Last post by martin
Thu Feb 01, 2018 1:07 am
- Why does NRT not respect symmetry?
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- NBO 6.0 NRT calculation problems
by ZFL » Mon Jan 15, 2018 7:35 am - 1 Replies
- 363 Views
- Last post by ericg
Tue Jan 16, 2018 5:29 pm
- NBO 6.0 NRT calculation problems
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- Definig molecular unit
by Kris(R) » Sat Nov 11, 2017 4:46 am - 3 Replies
- 953 Views
- Last post by Kris(R)
Sun Jan 14, 2018 4:50 pm
- Definig molecular unit
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- The difference of MO (CMO) calculated by Gaussian and NBO.
by andrewtaylor » Tue Dec 19, 2017 8:52 am - 1 Replies
- 382 Views
- Last post by ericg
Wed Dec 20, 2017 4:37 pm
- The difference of MO (CMO) calculated by Gaussian and NBO.
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- earth alkaline valence AOs
by frenking » Wed Nov 29, 2017 11:51 am - 3 Replies
- 770 Views
- Last post by ericg
Wed Dec 06, 2017 9:40 pm
- earth alkaline valence AOs
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- $CHOOSE Problems and Avoiding Banana Bonds
by wtransue » Tue Oct 10, 2017 5:18 pm - 4 Replies
- 1281 Views
- Last post by cesapo
Wed Dec 06, 2017 4:03 am
- $CHOOSE Problems and Avoiding Banana Bonds
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- Problem during run NBO6 under G09 Rev. e01
by Manussada » Mon Oct 09, 2017 1:56 am - 1 Replies
- 448 Views
- Last post by ericg
Mon Oct 09, 2017 4:12 pm
- Problem during run NBO6 under G09 Rev. e01
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- strange bond
by mnahali » Mon Sep 11, 2017 6:28 am
- 1 Replies
- 632 Views
- Last post by ericg
Mon Sep 11, 2017 8:55 pm
- strange bond
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- MULTI logic error during NRT job
by gjtanoury » Fri Aug 18, 2017 2:17 pm
- 9 Replies
- 2675 Views
- Last post by gjtanoury
Fri Aug 25, 2017 7:38 am
- MULTI logic error during NRT job
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- RDDAFC error
by gjtanoury » Thu Aug 17, 2017 7:59 am - 3 Replies
- 753 Views
- Last post by ericg
Fri Aug 18, 2017 8:11 am
- RDDAFC error
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- no bonding orbital but strong interaction
by mnahali » Mon Aug 07, 2017 3:08 am
- 1 Replies
- 492 Views
- Last post by ericg
Mon Aug 07, 2017 9:39 am
- no bonding orbital but strong interaction
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- NBO charge
by Sabyasachi » Sun Aug 06, 2017 2:07 am
- 1 Replies
- 547 Views
- Last post by ericg
Mon Aug 07, 2017 8:50 am
- NBO charge
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- NBO6 and ORCA 4.0.2
by gjtanoury » Thu Jul 20, 2017 3:23 pm - 3 Replies
- 870 Views
- Last post by gjtanoury
Thu Jul 27, 2017 2:38 pm
- NBO6 and ORCA 4.0.2
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- Running NCS from CHK of NMR
by Ubeiden » Fri Oct 28, 2016 4:04 pm - 1 Replies
- 565 Views
- Last post by ericg
Mon Jul 03, 2017 8:52 pm
- Running NCS from CHK of NMR
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- total natural charge is not 0
by rozente » Sun Jan 29, 2017 3:34 am - 1 Replies
- 559 Views
- Last post by ericg
Mon Jul 03, 2017 8:48 pm
- total natural charge is not 0
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- Errors when using $CHOOSE for selection of alternative Lewis
by clairesheep » Fri Feb 24, 2017 2:05 pm
- 1 Replies
- 457 Views
- Last post by ericg
Mon Jul 03, 2017 8:32 pm
- Errors when using $CHOOSE for selection of alternative Lewis
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- NBO Warnings
by jdacchio » Sat Feb 04, 2017 12:35 pm - 0 Replies
- 561 Views
- Last post by jdacchio
Sat Feb 04, 2017 12:35 pm
- NBO Warnings
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- new release
by salcordris » Sun Oct 16, 2016 7:59 am - 0 Replies
- 558 Views
- Last post by salcordris
Sun Oct 16, 2016 7:59 am
- new release
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- NBOPro6 pictures
by salcordris » Sun Aug 07, 2016 5:20 am
- 6 Replies
- 1654 Views
- Last post by Ubeiden
Fri Aug 26, 2016 10:09 am
- NBOPro6 pictures
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- NBO calculate hasn't finished
by Ubeiden » Thu Aug 25, 2016 9:30 am
- 2 Replies
- 694 Views
- Last post by Ubeiden
Fri Aug 26, 2016 9:59 am
- NBO calculate hasn't finished
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- NBO plotting files
by Smin » Tue Aug 23, 2016 10:10 pm - 1 Replies
- 534 Views
- Last post by ericg
Thu Aug 25, 2016 9:17 pm
- NBO plotting files
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- NBO calc does not finish
by johanna » Tue Aug 16, 2016 9:51 am
- 2 Replies
- 742 Views
- Last post by johanna
Wed Aug 17, 2016 1:41 am
- NBO calc does not finish
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- Restart Gennbo
by Ubeiden » Thu Jul 28, 2016 1:11 pm - 2 Replies
- 602 Views
- Last post by Ubeiden
Fri Jul 29, 2016 12:19 pm
- Restart Gennbo
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- Natural bond order
by negoty » Fri Jul 29, 2016 9:02 am - 0 Replies
- 580 Views
- Last post by negoty
Fri Jul 29, 2016 9:02 am
- Natural bond order
113 topics • Page 1 of 5
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