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Results: 1-25/26
Authors:
Peeters, A
Van Alsenoy, C
March, NH
Klein, DJ
Van Doren, VE
Citation: A. Peeters et al., Boron B-12 cluster embedded in graphitic fragments, J PHYS CH B, 105(43), 2001, pp. 10546-10553
Authors:
Maurin, G
Senet, P
Devautour, S
Gaveau, P
Henn, F
Van Doren, VE
Giuntini, JC
Citation: G. Maurin et al., Combining the Monte Carlo technique with (SI)-S-29 NMR spectroscopy: Simulations of cation locations in zeolites with various Si/Al ratios, J PHYS CH B, 105(38), 2001, pp. 9157-9161
Authors:
Desseyn, HO
Clou, K
Keuleers, R
Miao, R
Van Doren, VE
Blaton, N
Citation: Ho. Desseyn et al., The effect of pressure and temperature on the vibrational spectra of different hydrogen bonded systems, SPECT ACT A, 57(2), 2001, pp. 231-246
Authors:
Howard, IA
March, NH
Van Doren, VE
Citation: Ia. Howard et al., Momentum density and its Fourier transform: Relation to the first-order density matrix and some scaling properties - art. no. 042509, PHYS REV A, 6404(4), 2001, pp. 2509
Authors:
Howard, IA
March, NH
Van Doren, VE
Citation: Ia. Howard et al., r- and p-space electron densities and related kinetic and exchange energies in terms of s states alone for the leading term in the 1/Z expansion for nonrelativistic closed-shell atomic ions - art. no. 062501, PHYS REV A, 6306(6), 2001, pp. 2501
Authors:
March, NH
Howard, IA
Holas, A
Senet, P
Van Doren, VE
Citation: Nh. March et al., Nuclear cusp conditions for components of the molecular energy density relevant for density-functional theory - art. no. 012520, PHYS REV A, 6301(1), 2001, pp. 2520
Authors:
Maurin, G
Senet, P
Devautour, S
Henn, F
Giuntini, JC
Van Doren, VE
Citation: G. Maurin et al., Monte Carlo simulations of dielectric relaxation in Na-mordenites, COMP MAT SC, 22(1-2), 2001, pp. 106-111
Authors:
Peeters, A
Lenstra, ATH
Van Doren, VE
Van Alsenoy, C
Citation: A. Peeters et al., Solids modeled by ab initio crystal field methods. Part 19. Structure of yellow and light yellow form of dimethyl 3,6-dichloro-2, 5-dihydroxyterephthalate, J MOL ST-TH, 546, 2001, pp. 17-24
Authors:
Peeters, A
Lenstra, ATH
Van Doren, VE
Van Alsenoy, C
Citation: A. Peeters et al., Solids modeled by ab initio crystal field methods. Part 20. Charge transfer in white form of dimethyl 3,6-dichloro-2,5-dihydroxyterephthalate, J MOL ST-TH, 546, 2001, pp. 25-32
Authors:
Leys, FE
March, NH
Van Doren, VE
Straub, G
Citation: Fe. Leys et al., Quantitative description of departures from the law of rectilinear diameters in the liquid-vapour coexistence curves of Rb and Cs, PHYS CHEM L, 39(2), 2001, pp. 133-140
Authors:
Zhang, ML
March, NH
Peeters, A
Van Alsenoy, C
Van Doren, VE
Citation: Ml. Zhang et al., Effect of plasticizer on thermodynamic properties of nylons: Model, phenomenology, and proposed experiments, J APPL PHYS, 89(7), 2001, pp. 3627-3630
Authors:
Howard, IA
March, NH
Alonso, JA
Cordero, NA
Van Doren, VE
Citation: Ia. Howard et al., Exchange energy density and some approximate exchange potentials obtained from Hartree-Fock theory of the ground state of the Be atom, CHEM P LETT, 343(1-2), 2001, pp. 166-170
Authors:
Popov, VN
Van Doren, VE
Balkanski, M
Citation: Vn. Popov et al., Elastic properties of single-walled carbon nanotubes, PHYS REV B, 61(4), 2000, pp. 3078-3084
Authors:
Miao, MS
Zhang, ML
Van Doren, VE
Ladik, JJ
Mintmire, JW
Citation: Ms. Miao et al., Local density approximation calculation of the conformation and electronicstructure of poly(fluoroethylene)s, J PHYS CH A, 104(29), 2000, pp. 6809-6816
Authors:
Howard, IA
March, NH
Senet, P
Van Doren, VE
Citation: Ia. Howard et al., Nonrelativistic exchange-energy density and exchange potential in the lowest order of the 1/Z expansion for ten-electron atomic ions - art. no. 062512, PHYS REV A, 6206(6), 2000, pp. 2512
Authors:
March, NH
Senet, P
Van Doren, VE
Citation: Nh. March et al., Non-local kinetic energy functional for an arbitrary number of Fermions moving independently in one-dimensional harmonic oscillator potential, PHYS LETT A, 270(1-2), 2000, pp. 88-92
Authors:
Zhang, ML
Miao, MS
Peeters, A
Van Alsenoy, C
Ladik, JJ
Van Doren, VE
Citation: Ml. Zhang et al., LDA calculations of the Young's moduli of polyethylene and six polyfluoroethylenes, SOL ST COMM, 116(6), 2000, pp. 339-343
Authors:
Popov, VN
Van Doren, VE
Balkanski, M
Citation: Vn. Popov et al., Elastic properties of crystals of single-walled carbon nanotubes, SOL ST COMM, 114(7), 2000, pp. 395-399
Authors:
Leys, FE
March, NH
Van Doren, VE
Straub, G
Citation: Fe. Leys et al., Equilibrium volumes of body-centered cubic alkali metals related to critical constants, SOL ST COMM, 113(8), 2000, pp. 479-482
Authors:
Peeters, A
Van Alsenoy, C
Zhang, ML
Van Doren, VE
Citation: A. Peeters et al., On the use of supermolecule model for calculation of young's modulus of crystalline polymers, INT J QUANT, 80(3), 2000, pp. 425-431
Authors:
Paragi, G
Gyemant, IK
Van Doren, VE
Citation: G. Paragi et al., Investigation of exchange potentials for excited states by parameter fitting, CHEM P LETT, 324(5-6), 2000, pp. 440-446
Authors:
Miao, MS
Van Doren, VE
Keuleers, R
Desseyn, HO
Van Alsenoy, C
Martins, JL
Citation: Ms. Miao et al., Density functional calculations of the structure of crystalline urea underhigh pressure, CHEM P LETT, 316(3-4), 2000, pp. 297-302
Authors:
Sule, P
Kurth, S
Van Doren, VE
Citation: P. Sule et al., Orbital dependent exchange-only methods for periodic systems, PHYS REV B, 60(8), 1999, pp. 5429-5439
Authors:
Ho, AC
Granger, MK
Ruoff, AL
Van Camp, PE
Van Doren, VE
Citation: Ac. Ho et al., Experimental and theoretical study of Li3N at high pressure, PHYS REV B, 59(9), 1999, pp. 6083-6086
Authors:
Popov, VN
Van Doren, VE
Balkanski, M
Citation: Vn. Popov et al., Lattice dynamics of single-walled carbon nanotubes, PHYS REV B, 59(13), 1999, pp. 8355-8358