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Results:
1-18
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Results: 18
Authors:
Smith, EDL
Hammond, RB
Jones, MJ
Roberts, KJ
Mitchell, JBO
Price, SL
Harris, RK
Apperley, DC
Cherryman, JC
Docherty, R
Citation: Edl. Smith et al., The determination of the crystal structure of anhydrous theophylline by X-ray powder diffraction with a systematic search algorithm, lattice energy calculations, and C-13 and N-15 solid-state NMR: A question of polymorphism in a given unit cell, J PHYS CH B, 105(24), 2001, pp. 5818-5826
Authors:
van Mourik, T
Price, SL
Clary, DC
Citation: T. Van Mourik et al., Diffusion Monte Carlo simulations on uracil-water using an anisotropic atom-atom potential model, FARADAY DIS, 118, 2001, pp. 95-108
Authors:
Mitchell, JBO
Price, SL
Leslie, M
Buttar, D
Roberts, RJ
Citation: Jbo. Mitchell et al., Anisotropic repulsion potentials for cyanuric chloride (C3N3Cl3) and theirapplication to modeling the crystal structures of azaaromatic chlorides, J PHYS CH A, 105(43), 2001, pp. 9961-9971
Authors:
Hanke, CG
Price, SL
Lynden-Bell, RM
Citation: Cg. Hanke et al., Intermolecular potentials for simulations of liquid imidazolium salts, MOLEC PHYS, 99(10), 2001, pp. 801-809
Authors:
Beyer, T
Day, GM
Price, SL
Citation: T. Beyer et al., The prediction, morphology, and mechanical properties of the polymorphs ofparacetamol, J AM CHEM S, 123(21), 2001, pp. 5086-5094
Authors:
Beyer, T
Price, SL
Citation: T. Beyer et Sl. Price, Dimer or catemer? Low-energy crystal packings for small carboxylic acids, J PHYS CH B, 104(12), 2000, pp. 2647-2655
Authors:
van Mourik, T
Benoit, DM
Price, SL
Clary, DC
Citation: T. Van Mourik et al., Ab initio and diffusion Monte Carlo study of uracil-water, thymine-water, cytosine-water, and cytosine-(water)(2), PHYS CHEM P, 2(6), 2000, pp. 1281-1290
Authors:
Engkvist, O
Price, SL
Stone, AJ
Citation: O. Engkvist et al., Developments in computational studies of crystallization and morphology applied to urea, PHYS CHEM P, 2(13), 2000, pp. 3017-3027
Authors:
Mitchell, JBO
Price, SL
Citation: Jbo. Mitchell et Sl. Price, A systematic nonempirical method of deriving model intermolecular potentials for organic molecules: Application to amides, J PHYS CH A, 104(46), 2000, pp. 10958-10971
Authors:
Price, SL
Citation: Sl. Price, Toward more accurate model intermolecular potentials for organic molecules, REV COMP CH, 14, 2000, pp. 225-289
Authors:
Lommerse, JPM
Motherwell, WDS
Ammon, HL
Dunitz, JD
Gavezzotti, A
Hofmann, DWM
Leusen, FJJ
Mooij, WTM
Price, SL
Schweizer, B
Schmidt, MU
van Eijck, BP
Verwer, P
Williams, DE
Citation: Jpm. Lommerse et al., A test of crystal structure prediction of small organic molecules, ACT CRYST B, 56, 2000, pp. 697-714
Authors:
van Mourik, T
Price, SL
Clary, DC
Citation: T. Van Mourik et al., Ab initio calculations on indole-water, 1-methylindole-water and indole-(water)(2), CHEM P LETT, 331(2-4), 2000, pp. 253-261
Authors:
Price, SL
Kasevich, RS
Johnson, MA
Wiberg, D
Marley, MC
Citation: Sl. Price et al., Radio frequency heating for soil remediation, J AIR WASTE, 49(2), 1999, pp. 136-145
Authors:
Nobeli, I
Price, SL
Citation: I. Nobeli et Sl. Price, A non-empirical intermolecular potential for oxalic acid crystal structures, J PHYS CH A, 103(32), 1999, pp. 6448-6457
Authors:
van Mourik, T
Price, SL
Clary, DC
Citation: T. Van Mourik et al., Ab initio calculations on uracil-water, J PHYS CH A, 103(11), 1999, pp. 1611-1618
Authors:
Sen, S
Hettich, HL
Rhiger, DR
Price, SL
Currie, MC
Ginn, RP
Mclean, EO
Citation: S. Sen et al., CdZnTe substrate producibility and its impact on IRFPA yield, J ELEC MAT, 28(6), 1999, pp. 718-725
Authors:
Potter, BS
Palmer, RA
Withnall, R
Chowdhry, BZ
Price, SL
Citation: Bs. Potter et al., Aza analogues of nucleic acid bases: experimental determination and computational prediction of the crystal structure of anhydrous 5-azauracil, J MOL STRUC, 486, 1999, pp. 349-361
Authors:
Medhi, C
Mitchell, JBO
Price, SL
Tabor, AB
Citation: C. Medhi et al., Electrostatic factors in DNA intercalation, BIOPOLYMERS, 52(2), 1999, pp. 84-93
Risultati:
1-18
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