Pietsch_S001
THE ATOMISTIC ORIGIN OF THE INVERSE PIEZOELECTRIC
EFFECT IN _-SIO2 AND _-GAPO4
Jav Davaasambuu, Vasili Kochin, Andreas Pucher, Semen V.Gorfman, Vladimir G.Tsirelson,
Peter Blaha and Ullrich Pietsch
Brunger_S002
ORBITAL MOMENTUM DENSITIES OF CHEMICALLY SIMILAR
MOLECULES USING HREMS AND DFT
M. J. Brunger, K. L. Nixon, L. Campbell, F. Wang, B.Appelbe, M. Hamilton and
D. A. Winkler
Major_S003
SUPERCONDUCTIVITY AND FERROMAGNETISM OF ZRZN2
Zs. Major, S. B. Dugdale, R. Watts, G. Santi,a M. A. Alam, S. M. Hayden, J.
A. Duffy, J. W. Taylor, T. Jarlborg, E. Bruno, D. Benea and H. Eberte
Kakutani_S004
SIMULATION OF COMPTON DOUBLE SCATTERING
Yukinobu Kakutani, Akihisa Koizumi and Nobuhiko Sakai
Chang_S005
DIRECT PHASE DETERMINATION OF FRACTIONAL REFLECTION
IN CHARGE-DENSITY-WAVE CRYSTALS USING X-RAY MULTIPLE DIFFRACTION
Shih-Lin Chang, Chao-Hong Du, Mau-Tsu Tang, Yu. P. Stetsko, Yen-Ru Lee, Tsong-Tze
Lin, Shih-Chang Wong and Wen-Shien Sun
Aubert_S006
ELECTROSTATIC PROPERTIES OF THE MOLECULAR SIEVE ALPO4-15
E. Aubert, F. Porcher, M. Souhassou and C. Lecomte
Claiser_S007
EXPERIMENTAL RESULTS ON COUPLED ANALYSIS OF SPIN
AND CHARGES DENSITIES OF Y AND GD COMPLES
N. Claiser, B. Gillon, M. Souhassou, C. Lecomte, N. K. Hansen, Y. Pontillon,
A. Caneschi, D. Gatteschi, C. Carbonera, A. Bencini, A. Cousson and E. Lelièvre-Berna
Cole_S008
CHARGE-DENSITY STUDY OF THE NON-LINEAR OPTICAL MATERIAL:
ZINC (TRIS)THIOUREA SULPHATE
Jacqueline M. Cole, Shamus L. G. Husheer, Dima S. Yufit, Judith A. K. Howard
and Garry J. McIntyre
Zaleski_S009
CHARGE DENSITY ANALYSIS OF N-(3, 5 DINITROPHENYL)-N-METHYLNITRAMINE.
Jacek Zaleski
Nakashima_S010
THE "COMBINATION METHOD" OF QUANTITATIVE
CBED AND X-RAY DIFFRACTION APPLIED TO CORUNDUM.
Philip N.H. Nakashima, Victor A. Streltsov, and Andrew W.S. Johnson
Dittrich_S011
VIRTUAL EXPERIMENTS FOR THE BUILDUP OF ASPHERICAL
ATOM SCATTERING FACTORS OBTAINED BY A NOVEL PARTITIONING SCHEME AND APPLICATION
TO A TRIVALINE STRUCTURE
Birger Dittrich and Dylan Jayatilaka
Hasan_S012
MOMENTUM-RESOLVED CHARGE DYNAMICS IN QUASI-LOW DIMENSIONAL
MOTT SYSTEMS : PERSPECTIVE FROM A NOVEL SPECTROSCOPY
M.Z. Hasana, Y.Lia and Y-D. Chuang
Munshi_S013
CHARGE DENSITY ANALYSIS ON MODIFIED COUMARINS: SECOND
HARMONIC GENERATION
P. Munshi and T. N. Guru Row
Brown_S014
EXPERIMENTAL ATTEMPTS TO MEASURE NONCOLLINEAR LOCAL
MAGNETISATION
P.J. Brown
Klooster_S015
THE NEW QUASI-LAUE DIFFRACTOMETER AT THE REPLACEMENT
RESEARCH REACTOR
Wim T. Klooster
Kobayasi_S016
NEW IONIC MODEL POTENTIAL FOR SEMICONDUCTORS WITH
APPLICATION TO SI
Teiji Kobayasi and Hisashi Nara
Peng_S017
CALCULATIONS OF ELECTRON ATOMIC SCATTERING FACTORS
AND TEMPERATURE DEPENDENT DEBYE-WALLER FACTORS
Lian-Mao Peng
Vos_S018
ELECTRON MOMENTUM SPECTROSCOPY OF SINGLE CRYSTAL SILICON
AND NICKEL TARGETS
M. Vos, C. Bowles, C. Chen, A.S. Kheifets, V.A. Sashin and E. Weigold
Kubo_S019
EFFECTS OF ELECTRON CORRELATION ON MAGNETIC COMPTON
PROFILES OF NI IN THE GW APPROXIMATION
Yasunori Kubo
Wang_S020
TOPOLOGICAL CHARACTERIZATION OF INTERMOLECULAR INTERACTIONS
Yu Wang, Chi-Rung Lee, and Chih-Chieh Wang
Whitten_S021
CHARGE DENSITY ANALYSIS AND DIPOLE MOMENT ENHANCEMENT
IN MNA (2-METHYL-4-NITROANILINE)
Andrew Whitten, Mark Spackman, Peter Turner, Wim Klooster, Ross Piltz, and Masaru
Tachibana
Spackman_S022
CAN NONLINEAR OPTICAL PROPERTIES BE EXTRACTED FROM
CHARGE DENSITY ANALYSIS OF X-RAY DIFFRACTION DATA?
Mark Spackman, Andrew Whitten and Dylan Jayatilaka
Sharma_S023
STUDY OF ANISOTROPY IN MOMENTUM DENSITY OF COBALT
B. K. Sharma, B. L. Ahuja, S. S. Asawat, V. Purvia, Y. Kakutani, A. Koizumi
and N. Sakai
Du_S024
THE STUDY OF THE PHASES OF CDWS UNDER THE APPLICATION
OF ELECTRIC FIELDS USING MULTIPLE X-RAY DIFFRACTION
Chao-Hung Du, Mau-Tsu Tang, Yuri P. Stetsko, Yen-Ru Lee, J.-J. Lee and Shih-Lin
Chang
Gillet_S025_needaff
POSITION AND MOMENTUM DENSITIES COMPLEMENTARITY
AT WORK, REFINING A QUANTUM MODEL FROM DIFFERENT DATA SETS
J.-M. Gillet, S. Ragot and P.J. Becker
Gale_S026
THE SIESTA METHOD: PRESENT STATUS AND FUTURE PROSPECTS
Julian D. Gale, Emilio Artacho, Alberto García, Javier Junquera, Pablo
Ordejón, Daniel Sánchez-Portalf and José M. Soler
Jiang_S027
ORDERED AND DISORDERED STRUCTURES CHARACTERIZED BY
ENERGY-LOSS SPECTROSCOPY
N. Jiang, B. Jiang and J. C. H. Spence
Shukla_S028
WAVE-FUNCTION-BASED AB INITIO METHODS FOR ELECTRONIC
STRUCTURE CALCULATIONS ON INSULATORS
Alok Shukla
Takahashi_S029
PROBING ELECTRON MOMENTUM DENSITIES IN MOLECULES
USING A NEW MULTICHANNEL (E,2E) SPECTROMETER
Masahiko Takahashi and Yasuo Udagawa
Overgaard_S030
CHARGE DENSITY STUDIES OF POLYMORPHIC ANTI-ULCER
AGENTS. THE APPLICABILITY OF THE ELECTROSTATIC POTENTIAL IN DRUG DESIGN
Jacob Overgaard, Mark P. Waller and David E. Hibbs
duBoulay_S032
CHARGE DENSITY ANALYSIS OF b-Si3N4
Doug du Boulay, Nobuo Ishizawa, and Victor Streltsov
Sakata_S033
CHARGE DENSITY STUDY UNDER HIGH PRESSURE
Makoto Sakata, Takafumi Itsubo, Eiji Nishibori, Yutakata Moritomo, Norimichi
Kojima, Yasuo Ohishi, and Masaki Takata
Shiotani_S034
FERMI SURFACE OF A SHAPE MEMORY ALLOY OF TINI
N. Shiotani, I. Matsumoto, H. Kawata, J. Katsuyama, M. Mizuno, H. Araki, and
Y. Shirai
Takata_S035
PRECISE CHARGE DENSITY STUDY OF CYTOCHROME c-553
BY MAXIMUM ENTROPY METHOD
Masaki Takata,, Kenichi Kato, Hiroshi Tanaka, Atsushi Nakagawa and Makoto Sakata