Register | Log in | FAQ      [?] 
Recent | Unread | Search | Authors | Tags | Export

DanHickstein's thesis2008 [83 articles]

Recent papers added to DanHickstein's library classified by the tag thesis2008. You can also see everyone's thesis2008.
  • Experimental and theoretical study of the charge density in 2-methyl-4-nitroaniline
    The Journal of Chemical Physics, Vol. 97, No. 8. (1992), pp. 5616-5630.
    by ST Howard, MB Hursthouse, CW Lehmann, PR Mallinson, CS Frampton
    posted to charge-density crystallography dipole-moment-enhancement thesis2008 by DanHickstein on 2008-07-27 17:12:49 as **
  • Direct observation of reduced bond-length alternation in donor/acceptor polyenes
    Journal of the American Chemical Society, Vol. 115, No. 6. (1993), pp. 2524-2526.
    by Seth R Marder, Joseph W Perry, Bruce G Tiemann, Christopher B Gorman, Sandra Gilmour, Shawnna L Biddle, Grant Bourhill
    posted to bla thesis2008 by DanHickstein on 2008-07-27 12:20:10 as **
  • An investigation of the interrelationships between linear and nonlinear polarizabilities and bond-length alternation in conjugated organic molecules — PNAS
    PNAS, Vol. 90, No. 23. (1993), pp. 11297-11301.
    by CB Gorman, SR Marder
    posted to bla crystallography thesis2008 by DanHickstein on 2008-07-27 12:18:48 as **
  • notes Gaussian 03, Revision C.02
    (2003)
    by MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, JA Montgomery, T Vreven, KN Kudin, JC Burant, JM Millam, SS Iyengar, J Tomasi, V Barone, B Mennucci, M Cossi, G Scalmani, N Rega, GA Petersson, H Nakatsuji, M Hada, M Ehara, K Toyota, R Fukuda, J Hasegawa, M Ishida, T Nakajima, Y Honda, O Kitao, H Nakai, M Klene, X Li, JE Knox, HP Hratchian, JB Cross, V Bakken, C Adamo, J Jaramillo, R Gomperts, RE Stratmann, O Yazyev, AJ Austin, R Cammi, C Pomelli, JW Ochterski, PY Ayala, K Morokuma, GA Voth, P Salvador, JJ Dannenberg, VG Zakrzewski, S Dapprich, AD Daniels, MC Strain, O Farkas, DK Malick, AD Rabuck, K Raghavachari, JB Foresman, JV Ortiz, Q Cui, AG Baboul, S Clifford, J Cioslowski, BB Stefanov, G Liu, A Liashenko, P Piskorz, I Komaromi, RL Martin, DJ Fox, T Keith, Al MA Laham, CY Peng, A Nanayakkara, M Challacombe, PMW Gill, B Johnson, W Chen, MW Wong, C Gonzalez, JA Pople
    posted to ab-initio computational-chemistry thesis2008 by DanHickstein on 2008-07-17 10:34:25 as **
  • Core reconstruction in pseudopotential calculations
    Physical Review B, Vol. 60, No. 11. (1999), 7863.
    by JR Trail, DM Bird
    posted to computational-chemistry dft thesis2008 tonto by DanHickstein on 2008-07-17 10:24:02 as **
  • Accurate structure factors from pseudopotential methods
    Physical Review B, Vol. 60, No. 11. (1999), 7875.
    by JR Trail, DM Bird
    posted to computational-chemistry dft thesis2008 tonto by DanHickstein on 2008-07-17 10:22:46 as **
  • Advances in electronic structure theory: GAMESS a decade later
    (2005), pp. 1167-1189.
    by MS Gordon, MW Schmidt
    edited by CE Dykstra, G Frenking, KS Kim, GE Scuseria
    posted to computational-chemistry thesis2008 by DanHickstein on 2008-07-17 07:01:22 as **
  • General atomic and molecular electronic structure system
    J. Comput. Chem., Vol. 14, No. 11. (November 1993), pp. 1347-1363.
    by Michael W Schmidt, Kim K Baldridge, Jerry A Boatz, Steven T Elbert, Mark S Gordon, Jan H Jensen, Shiro Koseki, Nikita Matsunaga, Kiet A Nguyen, Shujun Su, Theresa L Windus, Michel Dupuis, John A Montgomery
    posted to computational-chemistry thesis2008 by DanHickstein on 2008-07-17 06:57:57 as ** along with 2 people papatonyhill kimikazu
  • Comparative experimental electron density and electron localization function study of thymidine based on 20 K X-ray diffraction data
    Acta Crystallographica Section B: Structural Science, Vol. 64, No. 3. (June 2008), pp. 363-374.
    by Hübschle, , Dittrich, , Grabowsky, , Messerschmidt, , Luger,
    posted to charge-density crystallography hirshfeld-refinement invariom thesis2008 tonto by DanHickstein on 2008-07-17 05:32:44 as **
  • Wavefunctions derived from experiment. IV. Investigation of the crystal environment of ammonia
    Acta Crystallographica Section A, Vol. 58, No. 3. (May 2002), pp. 244-251.
    by Ian Bytheway, Daniel J Grimwood, Brian N Figgis, Graham S Chandler, Dylan Jayatilaka
    posted to thesis2008 tonto by DanHickstein on 2008-07-17 05:25:14 as **
  • Average dipole polarizabilities from the unsold approximation and ab initio data
    Chemical Physics Letters, Vol. 136, No. 6. (22 May 1987), pp. 575-582.
    by Maurice G Sylvain, IG Csizmadia
    posted to polarizabilities thesis2008 tonto by DanHickstein on 2008-07-17 05:18:32 as **
  • 3,5-Dinitro-2-[( R)-($-$)-1-phenylethyl]aminopyridine
    Acta Crystallographica Section C, Vol. 53, No. 9. (Sep 1997), pp. 1331-1334.
    by JM Cole, JAK Howard, JAH Macbride
    posted to mbdanp nlo shg thesis2008 by DanHickstein on 2008-07-17 02:50:49 as **
  • Crystal growth and defects characterization of zinc tris (thiourea) sulfate: a novel metalorganic nonlinear optical crystal
    Journal of Crystal Growth, Vol. 154 (1999), pp. 92-97.
    by V Venkataramanan, G Dhanaraj, VK Wadhawan, JN Sherwood, HL Bhat
    posted to nlo thesis2008 zts by DanHickstein on 2008-07-16 23:37:47 as **
  • Advances in protein and small-molecule charge-density refinement methods using MoPro
    Journal of Applied Crystallography, Vol. 38 (2005), pp. 38-54.
    by C Jelsch, B Guillot, A Lagoutte, C Lecomte
    posted to charge-density crystallography thesis2008 by DanHickstein on 2008-07-16 22:25:16 as **
  • Refinement of proteins at subatomic resolution with MOPRO
    Journal of Applied Crystallography, Vol. 34, No. 2. (Apr 2001), pp. 214-223.
    by Benoit Guillot, Laurence Viry, Regis Guillot, Claude Lecomte, Christian Jelsch
    posted to charge-density thesis2008 xd by DanHickstein on 2008-07-16 22:20:44 as **
  • Accurate charge density data collection in under a day with a home X-ray source
    Journal of Applied Crystallography (2005), pp. 827-829.
    by Vladimir V Zhurov
    posted to charge-density thesis2008 by DanHickstein on 2008-07-16 21:53:40 as **
  • Organic Nonlinear Optical Materials
    Vol. 1 (1995)
    by Ch, K Sutter, Ph Pretre, J Hulliger, M Florsheimer, P Gunter
    posted to nlo shg thesis2008 by DanHickstein on 2008-07-16 16:28:35 as **
  • Nonlinear Optics of Organic Molecules and Polymeric Materials
    (01 February 1997)
    by Hari S Nalwa, Seizo Miyata
    posted to nlo shg thesis2008 by DanHickstein on 2008-07-16 16:25:07 as **
  • Accurate prediction of static dipole polarizabilities with moderately sized basis sets
    Journal of Physical Chemistry, Vol. 93, No. 22. (1989), pp. 7594-7603.
    by Mark A Spackman
    posted to polarizabilities thesis2008 by DanHickstein on 2008-07-16 14:16:04 as *
  • Atoms in Molecules: A Quantum Theory (The International Series of Monographs on Chemistry, No 22)
    (16 June 1994)
    by Richard FW Bader
    posted to charge-density thesis2008 xd by DanHickstein on 2008-07-16 13:43:51 as **
  • On the errors in molecular dipole moments derived from accurate diffraction data
    Acta Crystallographica Section A, Vol. 55, No. 5. (Sep 1999), pp. 965-967.
    by Philip Coppens, Anatoliy Volkov, Yuriy Abramov, Tibor Koritsanszky
    posted to charge-density crystallography thesis2008 xd by DanHickstein on 2008-07-16 13:12:23 as **
  • X-ray Charge Densities and Chemical Bonding
    Vol. 4 (1997)
    by Philip Coppens
    posted to charge-density crystallography thesis2008 xd by DanHickstein on 2008-07-16 12:04:35 as read
  • Charge Densities Come of Age
    Angewandte Chemie International Edition, Vol. 44, No. 42. (2005), pp. 6810-6811.
    by Philip Coppens
    posted to charge-density crystallography thesis2008 xd by DanHickstein on 2008-07-16 11:39:12 as **
  • Crystal Engineering of NLO Materials Based on Metal-Organic Coordination Networks
    Acc. Chem. Res., Vol. 35, No. 7. (16 July 2002), pp. 511-522.
    by OR Evans, W Lin
    posted to nlo thesis2008 by DanHickstein on 2008-07-16 11:18:21 as ** along with 1 person dcheong
  • Structure refinement: some background theory and practical strategies
    Journal of Applied Crystallography, Vol. 41 (March 2008), pp. 491-522.
    by David Watkin
    posted to crystallography thesis2008 by DanHickstein on 2008-07-16 01:14:05 as read
  • Improving the scattering-factor formalism in protein refinement: application of the University at Buffalo Aspherical Atom Databank to polypeptide structures
    Acta Crystallographica Section D Biological Crystallography (2007), pp. 160-170.
    by A Volkov, M Messerschmidt, P Coppens
    posted to invariom thesis2008 by DanHickstein on 2008-07-15 23:49:02 as read
  • Automation of invariom and of experimental charge density modelling of organic molecules with the preprocessor program InvariomTool
    Journal of Applied Crystallography (2007), pp. 623-627.
    by CB Hã¼bschle, P Luger, B Dittrich
    posted to invariom thesis2008 by DanHickstein on 2008-07-15 23:41:47 as ** along with 1 person cjhall
  • The invariom model and its application: refinement of d,l-serine at different temperatures and resolution
    Acta Crystallographica Section A Foundations of Crystallography (2005), pp. 314-320.
    by B Dittrich, CB Hübschle, M Messerschmidt, R Kalinowski, D Girnt, P Luger
    posted to invariom thesis2008 by DanHickstein on 2008-07-15 23:39:59 as read
  • On the application of an experimental multipolar pseudo-atom library for accurate refinement of small molecule and protein crystal structures
    Acta Crystallographica Section A Foundations of Crystallography
    by Bartosz Zarychta, V Pichon-Pesme, B Guillot, C Lecomte, C Jelsch
    posted to invariom thesis2008 by DanHickstein on 2008-07-15 23:37:23 as **
  • On the differences between X-ray and neutron thermal vibration parameters
    Acta Crystallographica Section B, Vol. 51, No. 5. (Oct 1995), pp. 816-823.
    by RH Blessing
    posted to crystallography ded mbdanp thesis2008 by DanHickstein on 2008-07-15 11:26:20 as **
  • Exceptional second-order nonlinear optical susceptibilities of quinoid systems
    Applied Physics Letters, Vol. 39, No. 12. (1981), pp. 940-942.
    by SJ Lalama, KD Singer, AF Garito, KN Desai
    posted to ded nlo thesis2008 by DanHickstein on 2008-07-15 10:56:17 as **
  • Donor-Acceptor-Substituted Cyclic pi-Electron Systems - Probes for Theories and Building Blocks for New Materials
    Angewandte Chemie International Edition in English, Vol. 27, No. 11. (1988), pp. 1437-1455.
    by Rudolf Gompper, Hans-Ulrich Wagner
    posted to ded thesis2008 by DanHickstein on 2008-07-15 10:54:09 as **
  • Crystal structures of amino substituted dicyanoquinodimethanes with potential nonlinear optical applications
    New J. Chem., Vol. 23, No. 8. (1999), pp. 841-844.
    by Mosurkal Ravi, Marek Szablewski, Nancy-Ann Hackman, Graham H Cross, David Bloor, Andres E Goeta, Judith A Howard
    posted to ded thesis2008 by DanHickstein on 2008-07-15 10:52:06 as **
  • Highly Dipolar, Optically Nonlinear Adducts of Tetracyano-p-quinodimethane: Synthesis, Physical Characterization, and Theoretical Aspects
    J. Am. Chem. Soc., Vol. 119, No. 13. (2 April 1997), pp. 3144-3154.
    by M Szablewski, PR Thomas, A Thornton, D Bloor, GH Cross, JM Cole, JAK Howard, M Malagoli, F Meyers, JL Bredas, W Wenseleers, E Goovaerts
    posted to ded thesis2008 by DanHickstein on 2008-07-14 15:54:04 as **
  • Electron population analysis with rigid pseudoatoms
    Acta Crystallographica Section A, Vol. 32, No. 4. (Jul 1976), pp. 565-574.
    by RF Stewart
    posted to crystallography thesis2008 xd by DanHickstein on 2008-07-13 23:46:00 as **
  • On the origin of topological differences between experimental and theoretical crystal charge densities
    Acta Crystallographica Section A, Vol. 56, No. 4. (Jul 2000), pp. 332-339.
    by Anatoliy Volkov, Yuriy Abramov, Philip Coppens, Carlo Gatti
    posted to crystallography thesis2008 xd by DanHickstein on 2008-07-13 23:44:39 as **
  • Density-optimized radial exponents for X-ray charge-density refinement from ab initio crystal calculations
    Acta Crystallographica Section A, Vol. 57, No. 3. (May 2001), pp. 272-282.
    by Anatoliy Volkov, Yuriy A Abramov, Philip Coppens
    posted to crystallography thesis2008 xd by DanHickstein on 2008-07-13 23:43:27 as **
  • Evaluation of net atomic charges and atomic and molecular electrostatic moments through topo\-logical analysis of the experimental charge density
    Acta Crystallographica Section A, Vol. 56, No. 3. (May 2000), pp. 252-258.
    by Anatoliy Volkov, Carlo Gatti, Yuriy Abramov, Philip Coppens
    posted to crystallography thesis2008 xd by DanHickstein on 2008-07-13 23:41:03 as **
  • Testing aspherical atom refinements on small-molecule data sets
    Acta Crystallographica Section A, Vol. 34, No. 6. (Nov 1978), pp. 909-921.
    by NK Hansen, P Coppens
    posted to crystallography thesis2008 xd by DanHickstein on 2008-07-13 23:38:01 as **
  • Critical examination of the radial functions in the Hansen--Coppens multipole model through topological analysis of primary and refined theoretical densities
    Acta Crystallographica Section A, Vol. 57, No. 4. (Jul 2001), pp. 395-405.
    by Anatoliy Volkov, Philip Coppens
    posted to crystallography thesis2008 xd by DanHickstein on 2008-07-13 23:36:17 as **
  • XD2006. A computer program package for multipole refinement and analysis of charge densities from diffraction data.
    (2006)
    by Tibor Koritsanszky, Piero Macchi, Carlos Gatti, Luis J Farrugia, PR Mallison, A Volkov, T Richter
    posted to crystallography prb thesis2008 xd by DanHickstein on 2008-07-12 19:22:08 as **
  • notes Non-linear optical properties of thienylmethylene anilines and benzylidene aminothiophenes
    Journal of Molecular Structure: THEOCHEM, Vol. 760, No. 1-3. (28 February 2006), pp. 1-13.
    by John O Morley, Stuart D Whittaker
    posted to polarizability thesis2008 tonto by DanHickstein on 2008-07-12 17:22:42 as **
  • Charge-density study of the nonlinear optical precursor DED-TCNQ at 20 K
    Physical Review B, Vol. 65, No. 12. (13 March 2002), 125107.
    by Jacqueline M Cole, Royston C Copley, Garry J Mcintyre, Judith A Howard, Marek Szablewski, Graham H Cross
    posted to cole crystallography ded nlo prb shg thesis2008 xd by DanHickstein on 2008-07-12 15:42:30 as read
  • Medical Toxicology
    (2003)
    by Martin E Caravati, Richard C Dart
    posted to thesis2008 by DanHickstein on 2008-07-12 14:32:15 as *
  • SHELXTL, (Version 6.10)
    (May 2000)
    by GM Sheldrick
    posted to crystallography thesis2008 by DanHickstein on 2008-07-12 14:30:18 as read
  • SAINT. Data Collection and Processing Software for the SMART System
    (1995)
    by Siemens
    posted to crystallography thesis2008 by DanHickstein on 2008-07-12 14:29:18 as read
  • Physical Chemistry: a molecular approach
    (1997)
    by AD Mcquarrie, JD Simon
    posted to computational-chemistry my-textbooks thesis2008 by DanHickstein on 2008-07-12 14:27:17 as **
  • Quantum Chemistry
    (2006)
    by John P Lowe, Kirk A Peterson
    posted to ab-initio computational-chemistry dft thesis2008 by DanHickstein on 2008-07-12 14:25:42 as **
  • Rapid neutron-diffraction data collection for hydrogen-bonding studies: application of the Laue diffractometer (LADI) to the case study zinc (tris)thiourea sulfate
    Acta Crystallographica Section A, Vol. 57, No. 4. (Jul 2001), pp. 429-434.
    by Jacqueline M Cole, Garry J Mcintyre, Mogens S Lehmann, Dean AA Myles, Clive Wilkinson, Judith AK Howard
    posted to crystallography thesis2008 zts by DanHickstein on 2008-07-12 14:23:50 as **
  • (IUCr) X-ray and neutron diffraction studies of the non-linear optical compounds MBANP and MBADNP at 20 K: charge-density and hydrogen-bonding analyses
    Acta Crystallographica B, Vol. 58, No. 4. (April 2002), pp. 690-700.
    by Jacqueline M Cole, Andrés E Goeta, Judith AK Howard, Garry J Mcintyre
    posted to mbdanp nlo prb shg thesis2008 xd by DanHickstein on 2008-07-12 14:21:39 as read
    • Note: You may cite this page as: http://www.citeulike.org/user/DanHickstein/tag/thesis2008

    Result page: 1 2 Next RIS BibTeX
    CiteULike organises scholarly (or academic) papers or literature and provides bibliographic (which means it makes bibliographies) for universities and higher education establishments. It helps undergraduates and postgraduates. People studying for PhDs or in postdoctoral (postdoc) positions. The service is similar in scope to EndNote or RefWorks or any other reference manager like BibTeX, but it is a social bookmarking service for scientists and humanities researchers.