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- #odio la forma en q saludan hoy los niños chocando los puños. En el apretón de manos se conocía a los hombres #yaestoyviejo 1 day ago
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bradFirst, great blog! I would like to perform a relaxed PES scan in which two bond lengths change in co
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Moshe NathanDr Barroso, We have been successfully running Gromacs (version4.5.3) simulations of tryptophan dipep
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chemdzHi negative frequency means that there is a transition state
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premaDr. Borasso, This blog is really helpful to get things clear and understand conceptually....thanks:)
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prabai did't understand
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prabamy input #p b3lyp/6-31G(d,p) opt freq=raman got one nagative freq and 77 positive freq
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prabasir i run my compound using gaussian03,i got one negative frequency and 77 positive frequency.so how
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Mala SainnaHi joaq, No words to thank you for your help, we so much appreciate your time and effort to help us.
- Rigid and Relaxed Potential Energy Surface Scans (PES Scan) in Gaussian 03 and Gaussian 09 (153)
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- Polarizable Continuum Model (PCM) in G03 (81)
- Analyzing Natural Bond Orbitals (NBO) results from Gaussian ’03 & ’09 (35)
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- Download, yes, download Molekel 4.3 (WinXP). Happy New Year! (5)
- The Chemical blogspace (Cb) has ranked this blog! (5)
- The Gen keyword in Gaussian. Adding an external basis set. (4)
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amazement Articles basis set Blog CCIQS Chemistry Chuck Norris Computational Chemistry Ethics Gaussian gen Green Chemistry History of science Hybridizaion Internet IYC 2011 Journals Mathematics Models MolMod NBO Nobel Prize Papers Pauling PCM Peer review Philosophy poetry Pseudopotential Pécs QSAR Random thoughts Science Silaghi-Dumitrescu Software Solvation Sustainability Talks Teaching Theoretical Chemistry Tricks UBB UNAM Webinars white papers- Articles (2)
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