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Lauer, Guenther, Schulte, Karl Wilhelm, Schweig, Armin (1978) LNDO/S, a semiempirical SCF-CI method for the calculation of ionization potentials and electronic transition energies of valence electrons. Journal Of The American Chemical Society, 100 (16) 4925-4935 doi:10.1021/ja00484a001

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Reference TypeJournal (article/letter/editorial)
TitleLNDO/S, a semiempirical SCF-CI method for the calculation of ionization potentials and electronic transition energies of valence electrons
JournalJournal Of The American Chemical Society
AuthorsLauer, GuentherAuthor
Schulte, Karl WilhelmAuthor
Schweig, ArminAuthor
Year1978 (August)Volume100
Issue16
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja00484a001Search in ResearchGate
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Mindat Ref. ID1346805Long-form Identifiermindat:1:5:1346805:9
GUID0
Full ReferenceLauer, Guenther, Schulte, Karl Wilhelm, Schweig, Armin (1978) LNDO/S, a semiempirical SCF-CI method for the calculation of ionization potentials and electronic transition energies of valence electrons. Journal Of The American Chemical Society, 100 (16) 4925-4935 doi:10.1021/ja00484a001
Plain TextLauer, Guenther, Schulte, Karl Wilhelm, Schweig, Armin (1978) LNDO/S, a semiempirical SCF-CI method for the calculation of ionization potentials and electronic transition energies of valence electrons. Journal Of The American Chemical Society, 100 (16) 4925-4935 doi:10.1021/ja00484a001
In(1978, August) Journal Of The American Chemical Society Vol. 100 (16) American Chemical Society (ACS)

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LAUER, G., SCHULTE, K.-W., SCHWEIG, A. (1978) ChemInform Abstract: LNDO S, A SEMIEMPIRICAL SCF-CI METHOD FOR THE CALCULATION OF IONIZATION POTENTIALS AND ELECTRONIC TRANSITION ENERGIES OF VALENCE ELECTRONS. Chemischer Informationsdienst, 9 (46) doi:10.1002/chin.197846066
Lauer, G., Schulte, K.-W., Schweig, A. (1975) Calculation of valence electron vertical ionization potentials using a limited Cl approach. Chemical Physics Letters, 32. 163-166 doi:10.1016/0009-2614(75)85192-x
Hanekamp, Gerd, Heidenreich, Andreas, Krause, Dietmar, Meyer, Hermann, Müller, Thomas, Schweig, Armin (1994) On the quality of valence electronic transition and ionization energies of molecules containing N, O, F and S heteroatoms calculated using a reparametrized and extended version of the LNDO/S PERTCI method. Journal of Molecular Structure, 327 (2) 193-200 doi:10.1016/0022-2860(94)08159-x
LAUER, GUENTHER, NUELLER, CLAUS, SCHULTE, KARL-WILHELM, SCHWEIG, ARMIN, MAIER, GUENTHER, ALZERRECA, ARNALDO (1975) ChemInform Abstract: THEORIE UND ANWENDUNG DER PHOTOELEKTRONENSPEKTROSKOPIE 54. MITT. PHOTOELEKTRONENSPEKTRUM UND STRUKTUR VON TRI-TERT.-BUTYL-CYCLOBUTADIEN. Chemischer Informationsdienst, 6 (21) doi:10.1002/chin.197521053
Lauer, Günther, Müller, Claus, Schulte, Karl-Wilhelm, Schweig, Armin, Krebs, Adolf (1974) Struktur und Spin-Multiplizität eines [4] Annulen-Systems. Angewandte Chemie, 86 (16). 597-598 doi:10.1002/ange.19740861614
LAUER, GUENTHER, MUELLER, CLAUS, SCHULTE, KARL-WILHELM, SCHWEIG, ARMIN, KREBS, ADOLF (1974) ChemInform Abstract: THEORIE UND ANWENDUNG DER PHOTOELEKTRONENSPEKTROSKOPIE 47. MITT. STRUKTUR UND SPIN-MULTIPLIZITAET EINES (4)ANNULEN-SYSTEMS (I) Chemischer Informationsdienst, 5 (42) doi:10.1002/chin.197442060
Lauer, Günther, Meyer, Hermann, Schulte, Karl-Wilhelm, Schweig, Armin, Hase, Hans-Lothar (1979) Correlated electron density of N2. Chemical Physics Letters, 67. 503-507 doi:10.1016/0009-2614(79)85214-8
Schulz, Reinhard, Schweig, Armin, Zittlau, Werner (1985) The performance of the various semi-empirical methods MNDO, MNDO PERTCI, CNDO/S, CNDO/S PERTCI, LNDO/S and LNDO/S PERTCI for the prediction of vertical ionization energies. Journal of Molecular Structure: THEOCHEM, 121. 115-120 doi:10.1016/0166-1280(85)80050-6
SCHULTE, KARL-WILHELM, SCHWEIG, ARMIN (1974) ChemInform Abstract: CNDO CI CALCULATIONS ON SECOND-ROW MOLECULES PART 1, PHOSPHORIN AND THIOPHEN. Chemischer Informationsdienst, 5 (19) doi:10.1002/chin.197419368
Dewar, Michael J. S., Rzepa, Henry S. (1978) Calculations of electron affinities using the MNDO semiempirical SCF-MO method. Journal Of The American Chemical Society, 100 (3) 784-790 doi:10.1021/ja00471a021
Lauer, Günther, Müller, Claus, Schulte, Karl-Wilhelm, Schweig, Armin, Maier, Günther, Alzérreca, Arnaldo (1975) Photoelektronenspektrum und Struktur von Tri-tert.-butyl-cyclobutadien. Angewandte Chemie, 87 (6). 194-195 doi:10.1002/ange.19750870604
 
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