Negligência Intermediária da Sobreposição Diferencial
Multi tool use
Negligência Intermediária da Sobreposição Diferencial (INDO) é um método químico quântico semi-empírico[1][2] que é um desenvolvimento da negligência completa da sobreposição diferencial (CNDO/2)[3][4] introduzido por John Pople. Como a CNDO/2, ele usa sobreposição diferencial zero para as integrais de dois elétrons, mas não para integrais que estão sobre orbitais centradas no mesmo átomo.[5][6] O método agora é raramente usado em sua forma original com algumas exceções,[7] mas é a base para vários outros métodos, como MINDO, ZINDO e SINDO.
Ver também |
- Introdução à mecânica quântica
Referências
↑ E. Hückel, Zeitschrift für Physik, 70, 204, (1931); 72, 310, (1931); 76, 628 (1932); 83, 632, (1933)
↑ Hückel Theory for Organic Chemists, Charles A. Coulson, B. O'Leary and R. B. Mallion, Academic Press, 1978.
↑ J. Pople and D. Beveridge, Approximate Molecular Orbital Theory, McGraw-Hill, 1970.
↑ J. A. Pople, D. P. Santry and G. A. Segal, Journal of Chemical Physics, 43, S129, (1965)
↑ J. Pople, D. L. Beveridge and P. A. Dobosh, Journal of Chemical Physics, 47, 2026, (1967)
↑ Pople, J. A.; D. Beveridge (1970). Approximate Molecular Orbital Theory. [S.l.]: McGraw-Hill
↑ Mudar A. Abdulsattar and Khalil H. Al-Bayati, ‘Corrections and parameterization of semiempirical large unit cell method for covalent semiconductors’, Phys. Rev. B 75, 245201 (2007).
 |
Este artigo sobre Química é um esboço. Você pode ajudar a Wikipédia expandindo-o. |
Portal da ciência
Portal da física
Portal da química
6ViR4 PirbBBhCHc,WSmC0E16TvoP3yHs4GGd7VmTU,3DuUZpf3NomI W8D3He
Popular posts from this blog
1
This question is a follow up of this one. I am trying to run a command through the command line on a remote machine running Windows 7 from a workstation running Debian in an SSH session on that machine. The setup is basically as follows: debian box 1 === (SSH) ===> debian box 2 === (RDP) ===> Windows 7 I have tried running rdesktop from debian box 2 : rdesktop <Windows 7 box network address> -u username -p password -r disk:local="./TestRDP" -s "cmd.exe /K net use C: \\tsclientlocal & C:\test.bat & logoff" but cmd.exe is not launched on the remote device. I have also tried to open up cmd.exe on its own: rdesktop <Windows 7 box network address> -u username -p password -s "cmd.exe" but the terminal is not launched upon login ( rdesktop successf...
up vote
0
down vote
favorite
I am trying to mirror Ubuntu xenial repository by apt-mirror, but after running sudo apt-mirror , I get a Malformed checksum error. Any idea how to fix it? Downloading 1565 index files using 20 threads... Begin time: Wed Nov 21 11:11:21 2018 [20]... [19]... [18]... [17]... [16]... [15]... [14]... [13]... [12]... [11]... [10]... [9]... [8]... [7]... [6]... [5]... [4]... [3]... [2]... [1]... [0]... End time: Wed Nov 21 11:11:51 2018 Malformed checksum line "3ccf81a9f9ec2a984fed5f6c687675178771f7ec 41054" in http://archive.ubuntu.com/ubuntu/dists/xenial/main/i18n/Index at /usr/bin/apt-mirror line 562, <STREAM> line 118. Malformed checksum line "3ccf81a9f9ec2a984fed5f6c687675178771f7ec 41054" in http://archive.ubuntu.com/ubuntu/dists/xenial/main/i18n/Index at /usr/bin/ap...
up vote
0
down vote
favorite
So, my friend has been trying to install Matlab 2018b and he has encountered the following message just after the installation reaches 100%. Matlab installation additional configuration steps message I did some digging around in the Matlab forums and found out that to use the additional components, one should install a compiler and then use the following commands: mex -setup C mex -setup C++ Can anyone help me regarding this error? If this is indeed the solution then how can I execute those steps? Also, he says that even if he presses next, he cannot use matlab. The OS in use is Windows 10.
installation matlab
share | improve this question
...
