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Pure Appl. Chem., 1977, Vol. 49, No. 7, pp. 981-1000

http://dx.doi.org/10.1351/pac197749070981

Quantum chemical studies of CO, CS and related double bonds

Werner Kutzelnigg

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  • Yamada Kenta, Koga Nobuaki: Variationally determined electronic states for the theoretical analysis of intramolecular interaction. II. Qualitative nature of the PO bond in phosphine oxides. J. Comput. Chem. 2013, 34, 149. <http://dx.doi.org/10.1002/jcc.23118>
  • Lai Yan-Shuo, Chen Shushi: Adsorption of Organophosphate Pesticides with Humic Fraction-Immobilized Silica Gel in Hexane. J. Chem. Eng. Data 2013, 58, 2290. <http://dx.doi.org/10.1021/je400399x>
  • Fabian Jürgen, Mayer Roland, Čársky Petr, Zahradnik Rudolf: Quantenchemische Ab-initio-Berechnungen an schwefelorganischen Verbindungen: Experimentelle und theoretische Untersuchungen an Thioformaldehyd und Dithioglyoxal. Z Chem 2010, 25, 50. <http://dx.doi.org/10.1002/zfch.19850250203>
  • Puzzarini Cristina: The HCS∕HSC and HCS[sup +]∕HSC[sup +] systems: molecular properties, isomerization, and energetics. J Chem Phys 2005, 123, 024313. <http://dx.doi.org/10.1063/1.1953367>
  • Wesolowski Steven S., Brinkmann Nicole R., Valeev Edward F., Schaefer Henry F., Repasky Matthew P., Jorgensen William L.: Three- versus four-coordinate phosphorus in the gas phase and in solution: Treacherous relative energies for phosphine oxide and phosphinous acid. J Chem Phys 2002, 116, 112. <http://dx.doi.org/10.1063/1.1418440>
  • Thakkar Ajit J., Dykstra Clifford E., Botschwina P., Horn M., Matuschewski M., Schick E., Sebald P., Bruna Pablo J., Hachey Michel R.J., Grein Friedrich: Benchmark ab initio calculations of small molecules. Journal of Molecular Structure: THEOCHEM 1997, 400, 1. <http://dx.doi.org/10.1016/S0166-1280(97)90281-5>
  • Zschunke A., Mügge C., v. Löwis M., Krech F., Weber L., Schumann H., Stammler H. G.: γ-anti-Effekt an 1-Phosphabicyclo[3.3.1]nonan-Derivaten mit Substituenten am Phosphor. Synthese und Struktur von Pentacarbonyl(1-phosphabicyclo[3.3.1]nonan)chrom. Z anorg allg Chem 1992, 610, 127. <http://dx.doi.org/10.1002/zaac.19926100121>
  • Burford Neil: Modes of coordination for the phosphorylic unit. Coord Chem Rev - 1992, 112, 1. <http://dx.doi.org/10.1016/0010-8545(92)80002-9>
  • Yang Charles, Goldstein Elisheva, Breffle Scott, Jin Suquian: Theoretical study of bonding in SePH3, OPX3 and SPX3: an ab initio investigation (X = H, F, Cl,-C���CH, -CH3, -NH2, -C���N). Journal of Molecular Structure: THEOCHEM 1992, 259, 345. <http://dx.doi.org/10.1016/0166-1280(92)87024-T>
  • Drozd V. N.: The Pericyclic Reaction of the Derivatives of Dithiocarboxylic Acids. Phosphorus Sulfur Silicon Relat Elem 1991, 58, 255. <http://dx.doi.org/10.1080/10426509108040634>
  • Kutzelnigg Werner: Ab initio calculation of molecular properties. Journal of Molecular Structure: THEOCHEM 1989, 202, 11. <http://dx.doi.org/10.1016/0166-1280(89)87003-4>
  • Harcourt Richard D., Volatron Francois, Portalone Gustavo, Domenicano Aldo, Schultz Gy��rgy, Hargittai Istv��n: Qualitative valence-bond descriptions of bonding for S-N, S-O, S-F and S-S compounds via increased-valence structures. Journal of Molecular Structure: THEOCHEM 1989, 186, 131. <http://dx.doi.org/10.1016/0166-1280(89)87044-7>
  • Chernega A. N., Antipin M. Yu., Struchkov Yu. T., Romanenko V. D., Klebanskii E. O., Markovskii L. N.: Characteristic features of the molecular structure of iminophosphines. x-ray structural study of N,N-bis(trimethylsilyl)-N′-(di(t-butyl)phosphinothioyl)aminoiminophosphine. J Struct Chem 1988, 29, 104. <http://dx.doi.org/10.1007/BF00750185>
  • Tokiwa Hiroaki, Kamiya Mamoru, Kutzelnigg Werner: Applied quantum chemistry. Journal of Molecular Structure: THEOCHEM 1988, 181, 203. <http://dx.doi.org/10.1016/0166-1280(88)80028-9>
  • Boatz Jerry A., Gordon Mark S.: Ab initio studies of H2PXYH molecules (X, Y = O, S). J Comput Chem 1986, 7, 306. <http://dx.doi.org/10.1002/jcc.540070308>
  • Kutzelnigg Werner: Die chemische Bindung bei den höheren Hauptgruppenelementen. Angew Chem 1984, 96, 262. <http://dx.doi.org/10.1002/ange.19840960405>
  • Berthier Gaston, Chekir Souad, Jaidane Nejmeddine, Pauzat Fran��oise, Tao Yuanqi, Vermeulin Pierre: Etudes theoriques de molecules interstellaires soufrees. Journal of Molecular Structure: THEOCHEM 1983, 94, 327. <http://dx.doi.org/10.1016/0166-1280(83)80141-9>
  • Beslin P., Lagain D., Vialle J., Minot C.: Préparation de thiocétones acycliques α-insaturées. dimérisation régiosélective en 4h-dithiine-1,3. Tetrahedron 1981, 37, 3839. <http://dx.doi.org/10.1016/S0040-4020(01)98882-9>
  • Sauer Jürgen, Sustmann Reiner: Mechanistische Aspekte der Diels-Alder-Reaktion: Ein kritischer Rückblick. Angew Chem 1980, 92, 773. <http://dx.doi.org/10.1002/ange.19800921004>
  • Sauer Jürgen, Sustmann Reiner: Mechanistic Aspects of Diels-Alder Reactions: A Critical Survey. Angew Chem Int Ed Engl 1980, 19, 779. <http://dx.doi.org/10.1002/anie.198007791>
  • Kutzelnigg Werner, Wallmeier Holger, Wasilewski Jan: Equilibrium structure and harmonic force field of the known PH3 and the unknown PH5. Theor Chim Acta 1979, 51, 261. <http://dx.doi.org/10.1007/BF00548936>