WebMO

WebMO, LLC

Ukuthenga ngaphakathi nohlelo

Mayelana nalolu hlelo lokusebenza

WebMO ivumela abasebenzisi ukwakha futhi umbono molecule e 3-D, ngamehlo engqondo orbitals futhi izakhi imida yesimethri, babuka ulwazi amakhemikhali kanye izakhiwo kusukela yolwazi zangaphandle, futhi ukufinyelela isimo-of-the-art chemistry yezamakhompyutha izinhlelo.

WebMO Kunconywa for abafundi ubuhlakani esikoleni esiphakeme, ekolishi, futhi iziqu esikoleni abafuna ukufinyelela mobile izakhiwo yamangqamuzana, ulwazi, kanye izibalo.

WebMO amakhono zihlanganisa:
- Yakha molecule ngokudweba athomu izibopho in a umhleli 3-D yamangqamuzana, noma ngokukhuluma igama (isib, "aspirin")
- Lungiselela izakhiwo usebenzisa VSEPR theory noma molecular Mechanics
- Buka Huckel orbitals yamangqamuzana, electron kwabantu, abangaba electrostatic
- Buka iphuzu group and imida yesimethri izakhi zama-molecule
- Lookup eziyisisekelo ulwazi yamangqamuzana, kuhlanganise IUPAC futhi amagama, stoichiometry, mass izinyo lomhlathi
- Idatha Lookup chemical kusukela PubChem and ChemSpider
- Lookup yokulinga futhi wabikezela izakhiwo yamangqamuzana kusukela yolwazi zangaphandle (Nist, Sigma-Aldrich)
- Lookup IR, UV-yisi, NMR, futhi spectra mass kusuka yolwazi zangaphandle (Nist, NMRShiftDB)
- Capture high-resolution izithombe molecular
- Gcina and ukhumbule izakhiwo yamangqamuzana bangakini
- Export and yokungenisa izakhiwo nge-imeyili

WebMO ubuye front-end to WebMO amaseva (okufushane 16 nangaphezulu):
- Usekela Gaussian, GAMESS, Molpro, MOPAC, NWChem, Orca, PQS, PSI, Quantum Espresso, VASP, Q-Chem, futhi Tinker chemistry yezamakhompyutha izinhlelo
- Thumela, ukuqapha, futhi umbono izibalo
- Buka ihlelwe idatha tabular akhishwa amafayela okukhipha, kanye okukhipha eluhlaza
- Bona ngeso lengqondo geometry, ukukhokhiswa okungaphelele, dipole mzuzu, evamile izindlela vibrational, orbitals yamangqamuzana, futhi NMR / IR / UV-yisi spectra

Yini entsha

Android 13 support