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The 62nd Annual Pittsburgh Diffraction Conference

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The 62nd Annual Pittsburgh Diffraction Conference

The 62nd AnnualPittsburgh Diffraction ConferenceHoliday Inn Select At University Center Pittsburgh, PA 15213October 28-30, 2004Programs and AbstractsS

The 62nd Annual Pittsburgh Diffraction ConferenceSymposium to Honor Prof. R F. StewartAdditional Symposia Developments in Neutron Diffraction Protein Dynamics from Crystallography Synchrotron Applica

tions and OpticsOn (he occasion of the 62nd Pittsburgh Diffraction Conference, colleagues, collaborators and friends from around the world meet to cel The 62nd Annual Pittsburgh Diffraction Conference

ebrate the scientific career of Robert (Bob) Farrell Stewart.Robert Farrell StewartBob Stewart was born and raised in Seattle. At a tender age he was

The 62nd Annual Pittsburgh Diffraction Conference

sent to a British-type boarding school in Canada, where he was obliged to stay up very late to listen to the Queen’s coronation. As an American, he ob

The 62nd AnnualPittsburgh Diffraction ConferenceHoliday Inn Select At University Center Pittsburgh, PA 15213October 28-30, 2004Programs and AbstractsS

The 62nd Annual Pittsburgh Diffraction Conference was a good scholar, but his boyhood stories center on playing lineman for the football team.Bob obtained his A.B. in chemistry in 1958 at Carleton Co

llege in Minnesota. His classmate Janet became his helpmate and wife. Together they went to Pasadena where Bob obtained his PhD in Chemistry from Calt The 62nd Annual Pittsburgh Diffraction Conference

ech in 1963. His mentor was Norman Davidson. Although now well known as a theoretician, Bob began his research as an experimentalist. His dissertation

The 62nd Annual Pittsburgh Diffraction Conference

involved preparing very thin sections of crystals of the nucleic acid bases for spectroscopic studies.He went to Seattle as an NIH Postdoctoral Fello

The 62nd AnnualPittsburgh Diffraction ConferenceHoliday Inn Select At University Center Pittsburgh, PA 15213October 28-30, 2004Programs and AbstractsS

The 62nd Annual Pittsburgh Diffraction Conference of X-ray crystallography. Because of the very accurate X-ray data being collected in Lyle’s lab, it became apparent that the hydrogen atom scattering

factor then in use was inadequate. Bob saw that it would be more appropriate to use the scattering factor for a contracted H-atom derived from the wa The 62nd Annual Pittsburgh Diffraction Conference

vefunction for molecular hydrogen. This scattering factor is nowiuniversally adopted. The report of this work, [Stewart, Davidson & Simpson, (1965). J

The 62nd Annual Pittsburgh Diffraction Conference

.Chem.Phys., 42, 31751 became one of the most widely quoted papers in the crystallographic literature.Bob and Jan Stewart, with children Rob and Annam

The 62nd AnnualPittsburgh Diffraction ConferenceHoliday Inn Select At University Center Pittsburgh, PA 15213October 28-30, 2004Programs and AbstractsS

The 62nd Annual Pittsburgh Diffraction Conference 1975. Tie pursued his interest in what has become known as “charge density studies”, namely the study of nuclear and electronic charge distributions

in crystals. Bob became an Alfred p. Sloan Fellow in 1971, which enabled him to develop his ideas while visiting the late led Maslen in Australia. Bob The 62nd Annual Pittsburgh Diffraction Conference

, Ted and Phillip Coppens were a close trio with similar interests at that time. Tn 1976 after his return. Bob published “Electron population analysis

The 62nd Annual Pittsburgh Diffraction Conference

with rigid pseudoatoms”, which laid out the multipole model now widely-applied in deriving the charge density in crystals from experimental X-ray and

The 62nd AnnualPittsburgh Diffraction ConferenceHoliday Inn Select At University Center Pittsburgh, PA 15213October 28-30, 2004Programs and AbstractsS

The 62nd Annual Pittsburgh Diffraction Conferenceons. Pseudoatoms could be aspherical because of interatomic bonding and could also carry a net electronic charge. Bob emphasized that the same pseudoa

tom parameters that describe a molecular charge density distribution can also be used to derive other chemically important properties of molecules in The 62nd Annual Pittsburgh Diffraction Conference

crystals, such as dipole and quadrupole moments, the Laplacian of the charge density and molecular electrostatic potentials. Bob developed a very7 ext

The 62nd Annual Pittsburgh Diffraction Conference

ensive system of computer programs called Valray intended for least squares refinement using X-ray data in order to obtain pseudoatom parameters. Thes

The 62nd AnnualPittsburgh Diffraction ConferenceHoliday Inn Select At University Center Pittsburgh, PA 15213October 28-30, 2004Programs and AbstractsS

The 62nd Annual Pittsburgh Diffraction Conferenceeful calibration of experimental results against those obtained from ab initio theoretical results.Bob’s publication list is evidence of his many coll

aborations, including those with Lyle Jensen in Seattle: Don Cromer at Ĩ.OS Alamos; John Pople and former members of his own research group al CMU, es The 62nd Annual Pittsburgh Diffraction Conference

pecially John Bentley, Joel Epstein and Mark Spackman; Bryan Craven and Peter Trocano and (heir research groups al the University of Pittsburgh; Sine

The 62nd Annual Pittsburgh Diffraction Conference

Larsen and her group at the University of Copenhagen, most notably Claus Flensburg. Bob has had a strong influence on many other colleagues through hi

The 62nd AnnualPittsburgh Diffraction ConferenceHoliday Inn Select At University Center Pittsburgh, PA 15213October 28-30, 2004Programs and AbstractsS

The 62nd Annual Pittsburgh Diffraction Conferenceent research interests as being in: “Theories and applications of elastic X-ray scattering. Inelastic and elastic, but coherent, neutron scattering ex

periments applied to lattice dynamics and crystal structure analysis. Statistical mechanical foundations for total (electrons and nuclei) charge densi The 62nd Annual Pittsburgh Diffraction Conference

ty analysis from X-ray, neutron and electron scattering experiments.” He seems set for an active retirement, because the only equipment he needs for c

The 62nd Annual Pittsburgh Diffraction Conference

arrying on his research will be a pencil sharpener, a supply of yellow pads and a PC.Bryan Craven.iiThe 62nd Annual Pittsburgh Diffraction ConferenceC

The 62nd AnnualPittsburgh Diffraction ConferenceHoliday Inn Select At University Center Pittsburgh, PA 15213October 28-30, 2004Programs and AbstractsS

The 62nd Annual Pittsburgh Diffraction ConferenceCromerB.Leif HansonCora LindA. Alan PinkertonKristin Kirschbaum

The 62nd AnnualPittsburgh Diffraction ConferenceHoliday Inn Select At University Center Pittsburgh, PA 15213October 28-30, 2004Programs and AbstractsS

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