Session Chair: Claude E. P. Lecomte
Mineralogie-Cristallographie Et Physique
URA CNRS 809
Faculte De Sciences Univ. De Nancy I
BP 239 54506 Vandoeuvre-les-Nancy FRANCE
Phone: 33 839 12267
Fax: 33 834 06492
lecomte@lcm3b.u-nancy.fr
Program Contact: D. Feil
Chemical Physics Lab
U. Twente
PO Box 217
7500 AE Enschede
THE NETHERLANDS
FAX 31 53 325 710
feil@ct.utwente.nl
(E1144) MS09.01.01
Date: Friday, August 09, Time: 3:35 - 3:55, Room: 613
A COMPARISON OF SERIAL AND IMAGING PLATE DATA COLLECTION: THE LOW TEMPERATURE CHARGE DENSITY OF DL-HISTIDINE
Michael Carducci , Robert Bolotovsky and Philip Coppens
in%che9996@ubvms.cc.buffalo.edu
(S0431) MS09.01.02
Date: Friday, August 09, Time: 3:55 - 4:15, Room: 613
TRANSFERABILITY OF ELECTRON DENSITY : APPLICATION TO MACROMOLECULAR SYSTEMS
V. Pichon-Pesme , H. Lachekar and C. Lecomte
pichon@lcm3b.u-nancy.fr
(E0065) MS09.01.03
Date: Friday, August 09, Time: 4:15 - 4:35, Room: 613
IMAGING OF DIFFRACTION DATA BY MEM
Makoto Sakata
a40366a@nucc.cc.nagoya-u.ac.jp
(S0305) MS09.01.04
Date: Friday, August 09, Time: 4:35 - 4:55, Room: 613
RETRIEVAL OF SPIN DENSITIES FROM POLARIZED-NEUTRON DIFFRACTION DATA USING MAXIMUM ENTROPY
R. J. Papoular
papou@bali.saclay.cea.fr
(E0848) MS09.01.05
Date: Friday, August 09, Time: 4:55 - 5:15, Room: 613
THE PRIOR IN THE MAXIMUM ENTROPY METHOD DO NON-NUCLEAR MAXIMA IN BE AND SI EXIST?
R.Y. deVries (THE NETHERLANDS), W.J. Briels and D. Feil
r.y.devries@ct.utwente.nl
(E1317) MS09.01.06
Date: Friday, August 09, Time: 5:15 - 5:35, Room: 613
A BAYESIAN APPROACH TO HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY: ACCURATE DENSITY STUDIES WITH PROGRAM BUSTER
Pietro Roversi , John Irwin and Gerard Bricogne
pietro@rs6.csrsrc.mi.cnr.it
(E0649) PN09.01.07
Date: Not Yet Assigned, Time: Not Yet Assigned, Room: Not Yet Assigned
DIFFUSE SCATTERING ACCOUNT IN ACCURATE DIFFRACTION STUDIES: A PRACTICAL APPLICATION
A.I. Stash , V.E. Zavodnik, T.G. Tsirelson and D. Feil
adam@cc.nifhi.ac.ru
(E1159) PR09.01.08
IS THE CONBINATION OF FAST, HIPPO, DREAM AND XD THE NEW WAY FORWARD TO CHARGE DENSITY ANALYSES?
Ben R.F. Bracke and M.B. Hursthouse
bracke@cardiff.ac.uk
(S0126) PR09.01.09
ANHARMONICITY IN MNF2 AT LOW TEMPERATURE: BEYOND THE FROZEN-CORE APPROXIMATION
W. Jauch , A. J. Schultz and R. F. Stewart
jauch@hmi.de
(E0647) PN09.01.10
Date: Not Yet Assigned, Time: Not Yet Assigned, Room: Not Yet Assigned
ELECTRON DENSITY AND PROPERTIES OF ROCK-SALT TYPE CRYSTALS
V.E. Zavodnik , Yu.A. Abramov, A.I. Stash, E. Belokoneva, A.S. Avilov, U. Pietsch, J. Stahn D. Feil and V.G. Tsirelson
zaval@cc.nifhi.ac.ru
(E1194) PS09.01.11
Session: I, Board: 251, Room: Not Yet Assigned
CHARGE DENSITY STUDIES OF TRANSITION METAL SULFIDES
Zhengwei Su , Philip Coppens, Nobuo Ishizawa, Natalie Holzwarth and Yueping Zeng
che9985@ubvms.cc.buffalo.edu
(E1269) PS09.01.12
Session: I, Board: 252, Room: Not Yet Assigned
4F-ELECTRON DENSITY DISTRIBUTION IN CEB6 AND ITS TEMPERATURE DEPENDENCE
Kiyoaki Tanaka and Yoshichika Ohnuki
kiyo@tana1.kyy.nitech.ac.jp
(S0141) PS09.01.13
Session: I, Board: 253, Room: Not Yet Assigned
ELECTRON DENSITY STUDIES OF METAL SQUARATE COMPLEXES
Chi-Rung Lee (TAIWAN ROC), Chih-Chieh Wang, Gene-Hsiang Lee and Yu Wang
crlee@chem38.ch.ntu.edu.tw
(S0664) PS09.01.14
Session: I, Board: 254, Room: Not Yet Assigned
X-N STUDY OF THE ELECTRON DENSITY DISTRIBUTION IN Ni(ND3)4(NO2)2 AT 9 K
F. Krebs Larsen , B.B. Iversen, Brian N. Figgis, Philip A. Reynolds and A.J. Schultz
kre@kemi.aau.dk
(S0272) PS09.01.15
Session: I, Board: 255, Room: Not Yet Assigned
CHARGE AND SPIN DENSITY IN SOME HYDRATES OF NICKEL SALTS: BONDING AND ARTIFICIAL EFFECTS
I. Olovsson , G. J. McIntyre and H. Ptasiewicz-Bak
(S0092) PN09.01.16
Date: Not Yet Assigned, Time: Not Yet Assigned, Room: Not Yet Assigned
CHARGE DENSITY ANALYSIS IN THE 3D METAL SANDWICH COMPLEXES WITH THE MIXED-RING ¸-LIGANDS
K. A. Lyssenko , M. Yu. Antipin and S. Yu. Ketkov
(E1294) PN09.01.17
Date: Not Yet Assigned, Time: Not Yet Assigned, Room: Not Yet Assigned
ELECTRON DENSITY STUDIES ON TETRAAQUABIS(HYDROGENMALEATE)IRON(II)
Isolda M. de Castro Mendes and Nelson G. Fernandes
isomcm@oraculo.lcc.ufmg.br
(S0310) PS09.01.18
Session: I, Board: 256, Room: Not Yet Assigned
THE CHARGE DENSITY IN ADENOSINE AT 123K
H. W. Yang , J. R. Ruble, W. T. Klooster, S. K. Kamperman and B. M. Craven
yang@bcl1.xtal.pitt.edu
(S0376) PS09.01.19
Session: I, Board: 257, Room: Not Yet Assigned
EXPERIMENTAL CHARGE DENSITY OF DL-SERINE AND L-SERINE
J. Buschmann , T. Koritsanszky, M. Ramm and P. Luger
juergen@chemie.fu-berlin.de
(S0479) PS09.01.20
Session: I, Board: 258, Room: Not Yet Assigned
THE CHARGE DENSITY OF 9-ETHYLADENINE-5,5-DIETHYLBARBITURIC ACID
Monica Niederhut , B.M. Craven
mmnst5@vms.cis.pitt.edu
(S0529) PS09.01.21
Session: I, Board: 259, Room: Not Yet Assigned
MULTIPOLE ELECTRON DENSITY MODELING IN ACENTRIC SPACE GROUPS? PERIODIC AB INITIO CALCULATIONS ON HEXAMETHYLENETETRAMINE
Henrik Birkedal and Sine Larsen
henrik@xray.ki.ku.dk
(E0195) PS09.01.22
Session: I, Board: 260, Room: Not Yet Assigned
EXPERIMENTAL AND THEORETICAL CHARGE DENSITIES IN A MODEL "PROTEIN SPONGE" COMPLEX
Paul R. Mallinson , Kirsty L. McCormack and Krzyszof Wozniak
paul@chem.gla.ac.uk
(E0278) PN09.01.23
Date: Not Yet Assigned, Time: Not Yet Assigned, Room: Not Yet Assigned
ELECTRON DENSITY STUDIES ON 2,3-PYRIDINEDICARBOXYLIC ACID
M. Costa and N. Fernandes
mddcpmb@oraculo.lcc.ufmg.br
(E1314) PS09.01.24
Session: I, Board: 261, Room: Not Yet Assigned
CHARGE DENSITY OF KDP (KH2PO4) BY THE MAXIMUM ENTROPY METHOD
Shigefumi Yamamura , Satoshi Kasahara, Masaki Takata and Makoto Sakata
d42934a@nucc.cc.nagoya-u.ac.jp
(E0528) PS09.01.25
Session: I, Board: 262, Room: Not Yet Assigned
NUCLEAR DENSITY DISTRIBUTION OF KDP (KH2PO4) OBTAINED BY THE MAXIMUM ENTROPY ANALYSIS
S. Kumazawa and K. Ishida
kumazawa@ph.noda.sut.ac.jp
(S0221) PS09.01.26
Session: I, Board: 263, Room: Not Yet Assigned
ELECTRON DENSITY DISTRIBUTION OF SUPERCONDUCTOR SR2RUO4 BY THE MAXIMUM ENTROPY METHOD
Y. Sekii , H. Ishibashi and K. Nakahigashi
sekii@zeus.cias.osakafu-u.ac.jp
(S0220) PS09.01.27
Session: I, Board: 264, Room: Not Yet Assigned
ELECTRON DENSITY DISTRIBUTION IN Y-CuBr BY THE MAXIMUM ENTROPY METHOD
H. Ishibashi , J. Tamura and K. Nakahigashi
hiroki@cias.osakafu-u.ac.jp
(E0814) PS09.01.28
Session: I, Board: 265, Room: Not Yet Assigned
CHARGE AND NUCLEAR DENSITY DISTRIBUTION OF THE PYROCHLORE Y2Sn2O7 BY MEM
Christopher J. Howard , D.J. Cookson, B.J. Kennedy, T. Ikeda, M. Takata and M. Sakata
cjh@atom.ansto.gov.au
(E0123) PN09.01.29
Date: Not Yet Assigned, Time: Not Yet Assigned, Room: Not Yet Assigned
ELECTRON-DYNAMICAL CHARACTERISTICS AND STABILITY OF METAL HYDRIDES
R. P. Ozerov , A. V. Sazonov, A. V. Bochkarev, S. A. Samoilov and V. I. Khleskov
ozerov@physic.mhti.msk.su
(E0339) PS09.01.30
Session: I, Board: 266, Room: Not Yet Assigned
CHARGE DENSITY STUDY OF ORGANIC NON-LINEAR OPTICAL MATERIALS
J. M. Cole , J. A. K. Howard, G. J. McIntyre, R. C. B. Copley, A. E. Goeta, M. Szablewski and G. H. Cross
cole@ill.fr
(S0142) PS09.01.31
Session: I, Board: 267, Room: Not Yet Assigned
CHARGE DENSITY STUDY OF NONLINEAR OPTICAL CRYSTALS: LBO, BBO AND KB5
Hwo-Shuenn Sheu (TAIWAN ROC), Chih-Chieh Wang, Chi-Rung Lee, Yu Wang, Alex Darovsky, Robert Bolotovsky and Philip Coppens
hsheu@srrcxi.srrc.gov.tw
(E0606) PS09.01.32
Session: I, Board: 268, Room: Not Yet Assigned
APPLICATIONS OF XD IN CHARGE DENSITY RESEARCH
T. Koritsanszky
tibor@chemie.fu-berlin.de
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