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Results: 1-19 |
Results: 19
Electronic structure and fluorescence spectrum of the HeO+ cation
Authors: Petrov, AN Panin, AI
Citation: An. Petrov et Ai. Panin, Electronic structure and fluorescence spectrum of the HeO+ cation, OPT SPECTRO, 90(3), 2001, pp. 367-370
Approximate solution of the representability problem
Authors: Panin, AI
Citation: Ai. Panin, Approximate solution of the representability problem, INT J QUANT, 85(1), 2001, pp. 1-17
Chemistry of binuclear bridged platinum metal complexes: VII. Quantum-chemical simulation of "Molecular assembling": Series [Ru(CN)(2)(py)(4)], [Cl(py)(4)Ru-NC-Ru(py)(4)CN](+), [Cl(py)(4)Ru-NC-Ru(py)(4)-CN-Ru(py)(4)Cl](2+)
Authors: Sizova, OV Ivanova, NV Baranovskii, VI Panin, AI Nikol'skii, AB
Citation: Ov. Sizova et al., Chemistry of binuclear bridged platinum metal complexes: VII. Quantum-chemical simulation of "Molecular assembling": Series [Ru(CN)(2)(py)(4)], [Cl(py)(4)Ru-NC-Ru(py)(4)CN](+), [Cl(py)(4)Ru-NC-Ru(py)(4)-CN-Ru(py)(4)Cl](2+), RUSS J G CH, 70(6), 2000, pp. 823-827
Molecular-crystalline approach to evaluation of correlation corrections inthe theory of chemical bonding in crystals: Electronic structure of Ti2O3 crystals
Authors: Evarestov, RA Panin, AI
Citation: Ra. Evarestov et Ai. Panin, Molecular-crystalline approach to evaluation of correlation corrections inthe theory of chemical bonding in crystals: Electronic structure of Ti2O3 crystals, PHYS SOL ST, 42(1), 2000, pp. 59-64
Local characteristics of the electronic structure of molecular systems predicted by the unrestricted Hartree-Fock method
Authors: Veryazov, VA Leko, AV Panin, AI Evarestov, RA
Citation: Va. Veryazov et al., Local characteristics of the electronic structure of molecular systems predicted by the unrestricted Hartree-Fock method, RUSS J PH C, 74(1), 2000, pp. 24-29
X-OH2+ (X = C, O) cations: Vibrational spectra, stability, and electron capture reactions
Authors: Panin, AI Tulub, AV
Citation: Ai. Panin et Av. Tulub, X-OH2+ (X = C, O) cations: Vibrational spectra, stability, and electron capture reactions, OPT SPECTRO, 89(5), 2000, pp. 706-711
Electronic structure and polarizability of ortho-benzoquinonediimine and its singly and doubly charged anions
Authors: Baranovskii, VI Kuteikina-Teplyakova, AV Panin, AI
Citation: Vi. Baranovskii et al., Electronic structure and polarizability of ortho-benzoquinonediimine and its singly and doubly charged anions, J STRUCT CH, 41(1), 2000, pp. 28-34
Electronic structure of cations X-OH2+ (X = C,N,O)
Authors: Panin, AI Tulub, AV
Citation: Ai. Panin et Av. Tulub, Electronic structure of cations X-OH2+ (X = C,N,O), INT J QUANT, 77(2), 2000, pp. 580-588
Correlation effects in the unrestricted Hartree-Fock method for solids: Electronic structure of Ti2O3 crystal
Authors: Evarestov, RA Panin, AI
Citation: Ra. Evarestov et Ai. Panin, Correlation effects in the unrestricted Hartree-Fock method for solids: Electronic structure of Ti2O3 crystal, PHYS ST S-B, 214(1), 1999, pp. R5-R6
Theoretical study of low-lying electronic slates and emission spectra of the excimer ions NaHe+ and NaNe+
Authors: Panin, AI Petrov, AN Khait, YG
Citation: Ai. Panin et al., Theoretical study of low-lying electronic slates and emission spectra of the excimer ions NaHe+ and NaNe+, J MOL ST-TH, 490, 1999, pp. 189-200
Intramolecular electron transfer in [Ru(CN)(6-2k)(bpy)(k)](q) complexes
Authors: Sizova, OV Ivanova, NV Nikolskii, AB Panin, AI Baranovskii, VI Ershov, AY
Citation: Ov. Sizova et al., Intramolecular electron transfer in [Ru(CN)(6-2k)(bpy)(k)](q) complexes, ZH OBS KH, 69(4), 1999, pp. 598-603
Electronic structure of the excimer emitting systems of the type inert gas-alkali metal: The HeNa+ cation
Authors: Petrov, AN Panin, AI
Citation: An. Petrov et Ai. Panin, Electronic structure of the excimer emitting systems of the type inert gas-alkali metal: The HeNa+ cation, OPT SPECTRO, 86(3), 1999, pp. 377-382
Quantum chemical study of the magnetic properties and electronic structureof the Creutz-Taube ion [(NH3)(5)Ru-pyz-Ru(NH3)(5)](5+)
Authors: Leshchev, DV Baranovskii, VI Sizova, OV Panin, AI
Citation: Dv. Leshchev et al., Quantum chemical study of the magnetic properties and electronic structureof the Creutz-Taube ion [(NH3)(5)Ru-pyz-Ru(NH3)(5)](5+), J STRUCT CH, 40(4), 1999, pp. 493-502
Electronically excited states of [Ru(NH3)(4)bpy](2+) and [Ru(NH3)(2)(bpy)(2)](2+) complexes
Authors: Ivanova, NV Sizov, VV Nikolskii, AB Panin, AI
Citation: Nv. Ivanova et al., Electronically excited states of [Ru(NH3)(4)bpy](2+) and [Ru(NH3)(2)(bpy)(2)](2+) complexes, J STRUCT CH, 40(4), 1999, pp. 620-623
Structural-dynamic approach and path analysis of the intramolecular electron transfer in the bridged complexes [(NH3)(5)Ru-py-(C2H2)(n)-py-Ru(NH3)(5)](5+) with n=0, 1, 2, 3
Authors: Sizova, OV Baranovskii, VI Panin, AI
Citation: Ov. Sizova et al., Structural-dynamic approach and path analysis of the intramolecular electron transfer in the bridged complexes [(NH3)(5)Ru-py-(C2H2)(n)-py-Ru(NH3)(5)](5+) with n=0, 1, 2, 3, J STRUCT CH, 40(2), 1999, pp. 173-186
On the possibility of accumulation of chemical energy by molecular cationswith a doubly charged [H2O-C-OH2](++) cation as the example
Authors: Tulub, AV Panin, AI
Citation: Av. Tulub et Ai. Panin, On the possibility of accumulation of chemical energy by molecular cationswith a doubly charged [H2O-C-OH2](++) cation as the example, OPT SPECTRO, 85(5), 1998, pp. 690-697
Theoretical study of possible decay channels and lifetime of the metastable triplet state of the He2O2+ ion
Authors: Tulub, AV Panin, AI Khait, YG
Citation: Av. Tulub et al., Theoretical study of possible decay channels and lifetime of the metastable triplet state of the He2O2+ ion, OPT SPECTRO, 84(1), 1998, pp. 29-33
Construction of molecular orbitals localized on polyatomic fragments
Authors: Panin, AI Sizova, OV
Citation: Ai. Panin et Ov. Sizova, Construction of molecular orbitals localized on polyatomic fragments, J STRUCT CH, 39(4), 1998, pp. 464-470
Intramolecular electron transfer in mixed-valence complexes [(NH3)(5)Ru-L-Ru(NH3)(5)](5+) (L = N-2, pyz, pym, 4,4 '-bipy, bpa)
Authors: Sizova, OV Baranovskii, VI Panin, AI Ivanova, NV
Citation: Ov. Sizova et al., Intramolecular electron transfer in mixed-valence complexes [(NH3)(5)Ru-L-Ru(NH3)(5)](5+) (L = N-2, pyz, pym, 4,4 '-bipy, bpa), J STRUCT CH, 39(4), 1998, pp. 471-479
Risultati: 1-19 |