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Results: 1-16 |
Results: 16
Shape-dependent molecular polarizabilities
Authors: Apell, SP Sabin, JR Trickey, SB Oddershede, J
Citation: Sp. Apell et al., Shape-dependent molecular polarizabilities, INT J QUANT, 86(1), 2002, pp. 35-39
Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations
Authors: Norman, P Bishop, DM Jensen, HJA Oddershede, J
Citation: P. Norman et al., Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations, J CHEM PHYS, 115(22), 2001, pp. 10323-10334
Nuclear spin-spin coupling in the acetylene isotopomers calculated from abinitio correlated surfaces for (1)J(C, H), (1)J(C, C), (2)J(C, H), and (3)J(H, H) (vol 112, pg 3735, 2000)
Authors: Wigglesworth, RD Raynes, WT Kirpekar, S Oddershede, J Sauer, SPA
Citation: Rd. Wigglesworth et al., Nuclear spin-spin coupling in the acetylene isotopomers calculated from abinitio correlated surfaces for (1)J(C, H), (1)J(C, C), (2)J(C, H), and (3)J(H, H) (vol 112, pg 3735, 2000), J CHEM PHYS, 114(20), 2001, pp. 9192-9192
Propagator calculations of electronic spectra of photochromic spirooxazines
Authors: Shigemitsu, Y Jensen, HJAA Koch, H Oddershede, J
Citation: Y. Shigemitsu et al., Propagator calculations of electronic spectra of photochromic spirooxazines, MOLEC CRYST, 345, 2000, pp. 413-418
Effect of shape on molecular directional Compton profiles
Authors: Apell, SP Cabrera-Trujillo, R Oddershede, J Trickey, SB Sabin, JR
Citation: Sp. Apell et al., Effect of shape on molecular directional Compton profiles, J MOL ST-TH, 527, 2000, pp. 157-163
Atomic integral driven second order polarization propagator calculations of the excitation spectra of naphthalene and anthracene
Authors: Bak, KL Koch, H Oddershede, J Christiansen, O Sauer, SPA
Citation: Kl. Bak et al., Atomic integral driven second order polarization propagator calculations of the excitation spectra of naphthalene and anthracene, J CHEM PHYS, 112(9), 2000, pp. 4173-4185
Relativistic four-component calculations of indirect nuclear spin-spin couplings in MH4 (M=C, Si, Ge, Sn, Pb) and Pb(CH3)(3)H
Authors: Enevoldsen, T Visscher, L Saue, T Jensen, HJA Oddershede, J
Citation: T. Enevoldsen et al., Relativistic four-component calculations of indirect nuclear spin-spin couplings in MH4 (M=C, Si, Ge, Sn, Pb) and Pb(CH3)(3)H, J CHEM PHYS, 112(8), 2000, pp. 3493-3498
Nuclear spin-spin coupling in the acetylene isotopomers calculated from abinitio correlated surfaces for (1)J(C, H), (1)J(C, C), (2)J(C, H), and (3)J(H, H)
Authors: Wigglesworth, RD Raynes, WT Kirpekar, S Oddershede, J Sauer, SPA
Citation: Rd. Wigglesworth et al., Nuclear spin-spin coupling in the acetylene isotopomers calculated from abinitio correlated surfaces for (1)J(C, H), (1)J(C, C), (2)J(C, H), and (3)J(H, H), J CHEM PHYS, 112(8), 2000, pp. 3735-3746
Nuclear magnetic shielding in the acetylene isotopomers calculated from correlated shielding surfaces
Authors: Wigglesworth, RD Raynes, WT Kirpekar, S Oddershede, J Sauer, SPA
Citation: Rd. Wigglesworth et al., Nuclear magnetic shielding in the acetylene isotopomers calculated from correlated shielding surfaces, J CHEM PHYS, 112(2), 2000, pp. 736-746
Molecular shape, capacitance, and chemical hardness
Authors: Sabin, JR Trickey, SB Apell, SP Oddershede, J
Citation: Jr. Sabin et al., Molecular shape, capacitance, and chemical hardness, INT J QUANT, 77(1), 2000, pp. 358-366
Bethe theory of stopping incorporating electronic excitations of partiallystripped projectiles (vol 55, pg 2864, 1997)
Authors: Cabrera-Trujillo, R Cruz, SA Oddershede, J Sabin, JR
Citation: R. Cabrera-trujillo et al., Bethe theory of stopping incorporating electronic excitations of partiallystripped projectiles (vol 55, pg 2864, 1997), PHYS REV A, 59(6), 1999, pp. 4850-4850
Full four-component relativistic calculations of NMR shielding and indirect spin-spin coupling tensors in hydrogen halides
Authors: Visscher, L Enevoldsen, T Saue, T Jensen, HJA Oddershede, J
Citation: L. Visscher et al., Full four-component relativistic calculations of NMR shielding and indirect spin-spin coupling tensors in hydrogen halides, J COMPUT CH, 20(12), 1999, pp. 1262-1273
The Bethe sum rule and basis set selection in the calculation of generalized oscillator strengths
Authors: Cabrera-Trujillo, R Sabin, JR Oddershede, J Sauer, SPA
Citation: R. Cabrera-trujillo et al., The Bethe sum rule and basis set selection in the calculation of generalized oscillator strengths, ADV QUANT C, 35, 1999, pp. 175-192
Calculated nuclear shielding surfaces in the water molecule; prediction and analysis of sigma(O), sigma(H) and sigma(D) in water isotopomers
Authors: Wigglesworth, RD Raynes, WT Sauer, SPA Oddershede, J
Citation: Rd. Wigglesworth et al., Calculated nuclear shielding surfaces in the water molecule; prediction and analysis of sigma(O), sigma(H) and sigma(D) in water isotopomers, MOLEC PHYS, 96(11), 1999, pp. 1595-1607
Correlated calculations of indirect nuclear spin-spin coupling constants using second-order polarization propagator approximations: SOPPA and SOPPA(CCSD)
Authors: Enevoldsen, T Oddershede, J Sauer, SPA
Citation: T. Enevoldsen et al., Correlated calculations of indirect nuclear spin-spin coupling constants using second-order polarization propagator approximations: SOPPA and SOPPA(CCSD), THEOR CH AC, 100(5-6), 1998, pp. 275-284
Molecular relativistic calculations of the electric field gradients at thenuclei in the hydrogen halides
Authors: Visscher, L Enevoldsen, T Saue, T Oddershede, J
Citation: L. Visscher et al., Molecular relativistic calculations of the electric field gradients at thenuclei in the hydrogen halides, J CHEM PHYS, 109(22), 1998, pp. 9677-9684
Risultati: 1-16 |