AB INITIO AND SEMIEMPIRICAL SCF-MO COMPUTATIONS FOR N4+ COMPARISON OF SPIN UNRESTRICTED AND SPIN RESTRICTED METHODS.
- Author
- CONWAY DC
DEP. CHEM., TEXAS A & M UNIV., COLLEGE STATION, TEX. 77843 - Source
- J. CHEM. PHYS.; U.S.A.; DA. 1975; VOL. 63; NO 5; PP. 2219-2222; BIBL. 21 REF.
- Document type
- Article
- Language
- English
- Keyword (fr)
- AZOTE METHODE AB INITIO METHODE SCF MO METHODE SEMIEMPIRIQUE THEORIE HARTREE FOCK AVEC CONTRAINTE THEORIE HARTREE FOCK SANS CONTRAINTE ORBITALE GAUSSIENNE ENERGIE LIAISON STABILITE ENERGIE TOTALE DISTRIBUTION CHARGE ELECTRONIQUE CONFIGURATION GEOMETRIQUE AZOTE ION MOLECULAIRE COMPOSE MINERAL PHYSIQUE ATOMIQUE PHYSIQUE MOLECULAIRE
- Keyword (en)
- ATOMIC PHYSICS MOLECULAR PHYSICS
- Keyword (es)
- FISICA ATOMICA FISICA MOLECULAR
- Classification
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- PASCAL7640065113
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
Install on your browser
"O:13:\"PanistOpenUrl\":36:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000idc\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:0:\"\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:116:\"AB INITIO AND SEMIEMPIRICAL SCF-MO COMPUTATIONS FOR N4+ COMPARISON OF SPIN UNRESTRICTED AND SPIN RESTRICTED METHODS.\";s:9:\"\u0000*\u0000jtitle\";s:0:\"\";s:9:\"\u0000*\u0000stitle\";s:0:\"\";s:7:\"\u0000*\u0000date\";s:4:\"1975\";s:9:\"\u0000*\u0000volume\";s:0:\"\";s:8:\"\u0000*\u0000issue\";s:0:\"\";s:8:\"\u0000*\u0000spage\";s:0:\"\";s:8:\"\u0000*\u0000epage\";s:0:\"\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:0:\"\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:6:\"CONWAY\";s:10:\"\u0000*\u0000aufirst\";s:2:\"DC\";s:9:\"\u0000*\u0000auinit\";N;s:10:\"\u0000*\u0000auinitm\";N;s:5:\"\u0000*\u0000au\";a:0:{}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:116:\"AB INITIO AND SEMIEMPIRICAL SCF-MO COMPUTATIONS FOR N4+ COMPARISON OF SPIN UNRESTRICTED AND SPIN RESTRICTED METHODS.\";s:8:\"\u0000*\u0000place\";s:0:\"\";s:6:\"\u0000*\u0000pub\";s:0:\"\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Panist access
"O:12:\"IstexOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:0:\"\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:116:\"AB INITIO AND SEMIEMPIRICAL SCF-MO COMPUTATIONS FOR N4+ COMPARISON OF SPIN UNRESTRICTED AND SPIN RESTRICTED METHODS.\";s:9:\"\u0000*\u0000jtitle\";s:0:\"\";s:9:\"\u0000*\u0000stitle\";s:0:\"\";s:7:\"\u0000*\u0000date\";s:4:\"1975\";s:9:\"\u0000*\u0000volume\";s:0:\"\";s:8:\"\u0000*\u0000issue\";s:0:\"\";s:8:\"\u0000*\u0000spage\";s:0:\"\";s:8:\"\u0000*\u0000epage\";s:0:\"\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:0:\"\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:6:\"CONWAY\";s:10:\"\u0000*\u0000aufirst\";s:2:\"DC\";s:9:\"\u0000*\u0000auinit\";N;s:10:\"\u0000*\u0000auinitm\";N;s:5:\"\u0000*\u0000au\";a:0:{}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:116:\"AB INITIO AND SEMIEMPIRICAL SCF-MO COMPUTATIONS FOR N4+ COMPARISON OF SPIN UNRESTRICTED AND SPIN RESTRICTED METHODS.\";s:8:\"\u0000*\u0000place\";s:0:\"\";s:6:\"\u0000*\u0000pub\";s:0:\"\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Istex access
"O:16:\"EuropePMCOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:0:\"\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:116:\"AB INITIO AND SEMIEMPIRICAL SCF-MO COMPUTATIONS FOR N4+ COMPARISON OF SPIN UNRESTRICTED AND SPIN RESTRICTED METHODS.\";s:9:\"\u0000*\u0000jtitle\";s:0:\"\";s:9:\"\u0000*\u0000stitle\";s:0:\"\";s:7:\"\u0000*\u0000date\";s:4:\"1975\";s:9:\"\u0000*\u0000volume\";s:0:\"\";s:8:\"\u0000*\u0000issue\";s:0:\"\";s:8:\"\u0000*\u0000spage\";s:0:\"\";s:8:\"\u0000*\u0000epage\";s:0:\"\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:0:\"\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:6:\"CONWAY\";s:10:\"\u0000*\u0000aufirst\";s:2:\"DC\";s:9:\"\u0000*\u0000auinit\";N;s:10:\"\u0000*\u0000auinitm\";N;s:5:\"\u0000*\u0000au\";a:0:{}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:116:\"AB INITIO AND SEMIEMPIRICAL SCF-MO COMPUTATIONS FOR N4+ COMPARISON OF SPIN UNRESTRICTED AND SPIN RESTRICTED METHODS.\";s:8:\"\u0000*\u0000place\";s:0:\"\";s:6:\"\u0000*\u0000pub\";s:0:\"\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Europe PubMed Central access
"O:11:\"BaseOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:0:\"\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:116:\"AB INITIO AND SEMIEMPIRICAL SCF-MO COMPUTATIONS FOR N4+ COMPARISON OF SPIN UNRESTRICTED AND SPIN RESTRICTED METHODS.\";s:9:\"\u0000*\u0000jtitle\";s:0:\"\";s:9:\"\u0000*\u0000stitle\";s:0:\"\";s:7:\"\u0000*\u0000date\";s:4:\"1975\";s:9:\"\u0000*\u0000volume\";s:0:\"\";s:8:\"\u0000*\u0000issue\";s:0:\"\";s:8:\"\u0000*\u0000spage\";s:0:\"\";s:8:\"\u0000*\u0000epage\";s:0:\"\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:0:\"\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:6:\"CONWAY\";s:10:\"\u0000*\u0000aufirst\";s:2:\"DC\";s:9:\"\u0000*\u0000auinit\";N;s:10:\"\u0000*\u0000auinitm\";N;s:5:\"\u0000*\u0000au\";a:0:{}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:116:\"AB INITIO AND SEMIEMPIRICAL SCF-MO COMPUTATIONS FOR N4+ COMPARISON OF SPIN UNRESTRICTED AND SPIN RESTRICTED METHODS.\";s:8:\"\u0000*\u0000place\";s:0:\"\";s:6:\"\u0000*\u0000pub\";s:0:\"\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Base Search access
"O:12:\"ArXivOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:0:\"\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:116:\"AB INITIO AND SEMIEMPIRICAL SCF-MO COMPUTATIONS FOR N4+ COMPARISON OF SPIN UNRESTRICTED AND SPIN RESTRICTED METHODS.\";s:9:\"\u0000*\u0000jtitle\";s:0:\"\";s:9:\"\u0000*\u0000stitle\";s:0:\"\";s:7:\"\u0000*\u0000date\";s:4:\"1975\";s:9:\"\u0000*\u0000volume\";s:0:\"\";s:8:\"\u0000*\u0000issue\";s:0:\"\";s:8:\"\u0000*\u0000spage\";s:0:\"\";s:8:\"\u0000*\u0000epage\";s:0:\"\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:0:\"\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:6:\"CONWAY\";s:10:\"\u0000*\u0000aufirst\";s:2:\"DC\";s:9:\"\u0000*\u0000auinit\";N;s:10:\"\u0000*\u0000auinitm\";N;s:5:\"\u0000*\u0000au\";a:0:{}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:116:\"AB INITIO AND SEMIEMPIRICAL SCF-MO COMPUTATIONS FOR N4+ COMPARISON OF SPIN UNRESTRICTED AND SPIN RESTRICTED METHODS.\";s:8:\"\u0000*\u0000place\";s:0:\"\";s:6:\"\u0000*\u0000pub\";s:0:\"\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
arXiv access
