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Results: 1-22 |
Results: 22
Do bicyclic forms of m- and p-benzyne exist?
Authors: Hess, BA
Citation: Ba. Hess, Do bicyclic forms of m- and p-benzyne exist?, EUR J ORG C, (11), 2001, pp. 2185-2189
Stabilization of diazene in Fe(II)-sulfur model complexes relevant for nitrogenase activity. I. A new approach to the evaluation of intramolecular hydrogen bond energies
Authors: Reiher, M Sellmann, D Hess, BA
Citation: M. Reiher et al., Stabilization of diazene in Fe(II)-sulfur model complexes relevant for nitrogenase activity. I. A new approach to the evaluation of intramolecular hydrogen bond energies, THEOR CH AC, 106(6), 2001, pp. 379-392
Synthesis, reactivity, and structure of strictly homologous 18 and 19 valence electron iron nitrosyl complexes
Authors: Sellmann, D Blum, N Heinemann, FW Hess, BA
Citation: D. Sellmann et al., Synthesis, reactivity, and structure of strictly homologous 18 and 19 valence electron iron nitrosyl complexes, CHEM-EUR J, 7(9), 2001, pp. 1874-1880
Dinuclear diazene iron and ruthenium complexes as models for studying nitrogenase activity
Authors: Reiher, M Salomon, O Sellmann, D Hess, BA
Citation: M. Reiher et al., Dinuclear diazene iron and ruthenium complexes as models for studying nitrogenase activity, CHEM-EUR J, 7(23), 2001, pp. 5195-5202
[Ru(HNO)(' py(bu)S(4)')], the first HNO complex resulting from hydride addition to a NO complex (' py(bu)S(4)'(2-)=2,6-bis(2-mercapto-3,5-di-tert-butylphenylthio)dimethylpyridine(2-)) Part 148. Transition metal complexes with sulfur ligands
Authors: Sellmann, D Gottschalk-Gaudig, T Haussinger, D Heinemann, FW Hess, BA
Citation: D. Sellmann et al., [Ru(HNO)(' py(bu)S(4)')], the first HNO complex resulting from hydride addition to a NO complex (' py(bu)S(4)'(2-)=2,6-bis(2-mercapto-3,5-di-tert-butylphenylthio)dimethylpyridine(2-)) Part 148. Transition metal complexes with sulfur ligands, CHEM-EUR J, 7(10), 2001, pp. 2099-2103
Judd-Ofelt theory in a new light on its (almost) 40th anniversary
Authors: Smentek, L Wybourne, BG Hess, BA
Citation: L. Smentek et al., Judd-Ofelt theory in a new light on its (almost) 40th anniversary, J ALLOY COM, 323, 2001, pp. 645-648
Theory of host sensitized luminescence of rare earth doped materials II. Effective operator formulation
Authors: Smentek, L Hess, BA
Citation: L. Smentek et Ba. Hess, Theory of host sensitized luminescence of rare earth doped materials II. Effective operator formulation, J ALLOY COM, 315(1-2), 2001, pp. 1-10
Computational support for tunneling in thermal [1,7]-hydrogen shift reactions
Authors: Hess, BA
Citation: Ba. Hess, Computational support for tunneling in thermal [1,7]-hydrogen shift reactions, J ORG CHEM, 66(17), 2001, pp. 5897-5900
Dewar resonance energy
Authors: Schaad, LJ Hess, BA
Citation: Lj. Schaad et Ba. Hess, Dewar resonance energy, CHEM REV, 101(5), 2001, pp. 1465-1476
A quantum chemical study on the stability of [3(n)]-allenophanes (n=2-4)
Authors: Kind, C Reiher, M Roder, J Hess, BA
Citation: C. Kind et al., A quantum chemical study on the stability of [3(n)]-allenophanes (n=2-4), PHYS CHEM P, 2(10), 2000, pp. 2205-2210
Perspective on "Zur quantentheorie der spektrallinien" - Sommerfeld A (1916) Ann Phys (Leipzig) 51 : 1-94, 125-167
Authors: Hess, BA
Citation: Ba. Hess, Perspective on "Zur quantentheorie der spektrallinien" - Sommerfeld A (1916) Ann Phys (Leipzig) 51 : 1-94, 125-167, THEOR CH AC, 103(3-4), 2000, pp. 168-170
Theory of host sensitized luminescence of rare earth doped materials. I. Parity considerations
Authors: Smentek, L Hess, BA
Citation: L. Smentek et Ba. Hess, Theory of host sensitized luminescence of rare earth doped materials. I. Parity considerations, J ALLOY COM, 300, 2000, pp. 165-173
Density functional theory and the computation of vibrational spectra of reactive organic species
Authors: Hess, BA Schaad, LJ
Citation: Ba. Hess et Lj. Schaad, Density functional theory and the computation of vibrational spectra of reactive organic species, MOLEC PHYS, 98(16), 2000, pp. 1107-1115
Relativistic all-electron coupled-cluster calculations on Au-2 in the framework of the Douglas-Kroll transformation
Authors: Hess, BA Kaldor, U
Citation: Ba. Hess et U. Kaldor, Relativistic all-electron coupled-cluster calculations on Au-2 in the framework of the Douglas-Kroll transformation, J CHEM PHYS, 112(4), 2000, pp. 1809-1813
A fast ab initio model for the calculation of excited electronic states ofatoms and molecules in a weakly polarizable environment. I. Theory
Authors: Kunz, CF Hess, BA
Citation: Cf. Kunz et Ba. Hess, A fast ab initio model for the calculation of excited electronic states ofatoms and molecules in a weakly polarizable environment. I. Theory, J CHEM PHYS, 112(3), 2000, pp. 1373-1382
A fast ab initio model for the calculation of excited electronic states ofatoms and molecules in a weakly polarizable environment. II. Application to the spectrum of cesium in liquid helium
Authors: Kunz, CF Hess, BA
Citation: Cf. Kunz et Ba. Hess, A fast ab initio model for the calculation of excited electronic states ofatoms and molecules in a weakly polarizable environment. II. Application to the spectrum of cesium in liquid helium, J CHEM PHYS, 112(3), 2000, pp. 1383-1389
Accurate electric field gradients for the coinage metal chlorides using the PCNQM method
Authors: Pernpointner, M Schwerdtfeger, P Hess, BA
Citation: M. Pernpointner et al., Accurate electric field gradients for the coinage metal chlorides using the PCNQM method, INT J QUANT, 76(3), 2000, pp. 371-384
On the relative stabilities of singlet and triplet oxyallyl and cyclopropanone: A density functional study
Authors: Hess, BA Smentek, L
Citation: Ba. Hess et L. Smentek, On the relative stabilities of singlet and triplet oxyallyl and cyclopropanone: A density functional study, EUR J ORG C, (12), 1999, pp. 3363-3367
Green bands of the CsHg molecule
Authors: Polly, R Dinev, S Windholz, L Milosevic, S Hess, BA
Citation: R. Polly et al., Green bands of the CsHg molecule, J CHEM PHYS, 110(18), 1999, pp. 8992-8999
Mechanism of the rearrangement of vinyl allene oxide to 2-cyclopenten-1-one
Authors: Hess, BA Smentek, L Brash, AR Cha, JK
Citation: Ba. Hess et al., Mechanism of the rearrangement of vinyl allene oxide to 2-cyclopenten-1-one, J AM CHEM S, 121(23), 1999, pp. 5603-5604
Choosing GTO basis sets for periodic HF calculations
Authors: Gruneich, A Hess, BA
Citation: A. Gruneich et Ba. Hess, Choosing GTO basis sets for periodic HF calculations, THEOR CH AC, 100(1-4), 1998, pp. 253-263
Rearrangements of allene oxide, oxyallyl, and cyclopropanone
Authors: Hess, BA Eckart, U Fabian, J
Citation: Ba. Hess et al., Rearrangements of allene oxide, oxyallyl, and cyclopropanone, J AM CHEM S, 120(47), 1998, pp. 12310-12315
Risultati: 1-22 |