Division of Physical Chemistry

Spring 2003 Newsletter

Chair (8/02-03) John C. Hemminger
University of California-Irvine, Department of Chemistry 
Irvine, CA 92697 
(949) 824-6020, fax (949) 824-3168 

Chair-Elect (8/02-03) James L. Skinner
University of Wisconsin, Department of Chemistry 
Madison, WI 53706 
(608) 262-0481, fax (608) 262-9918 

Secretary/Treasurer (8/01-06) Kenneth D. Jordan
University of Pittsburgh, Department of Chemistry
Chevron Science Tower
Pittsburgh, PA 15260
(412) 624-8690, fax (412) 624-8611

Vice-Chair ( 8/02-03) David Nesbitt
University of Colorado, Department of Chemistry & Biochemistry
Boulder, CO 80309
(303) 492-8857, Fax (303) 735-1424

Vice-Chair Elect (8/02-03) Barbara Garrison
Penn State University, Department of Chemistry
152 Davey Laboratory
University Park, PA 16802
(814) 863-2103, fax (814) 863-5319

Past Chair (8/02-03) Richard M. Stratt
Brown University, Department of Chemistry 
324 Brook Street 
Providence, RI 02912 
(401) 863-3418, fax (401) 863-2594 

Stephen Bradforth (02-05) University of Southern California

John Hellgeth (02-05) SRN Company

David Norris, (01-04) Univeristy of Minnesota

Arthur Nozik (00-03) NREL

Anne McCoy (01-04) Ohio State University

Jeanne Robinson (02-05) Los Alamos National Laboratory

John E. Adams (03-05) University of Missouri, Columbia

Michael Bowers (02-04) Univ of California, Santa Barbara

Alvin L. Kwiram (03-05) University of Washington

Ellen Stechel (01-03) Ford Motor Company

A. Welford Castleman, Jr. (01-03) Penn State University

Joseph Golab (02-04) BP Naperville Complex C-7

Marsha I. Lester (02-04) University of Pennsylvania

Gil Nathanson (03-05) University of Wisconsin

Chair (8/02-03) Peter G. Wolynes
Department of Chemistry and Biochemistry 
University of California, San Diego 
La Jolla, CA 92093-0332 
(858) 822-4825

Chair-Elect (8/02-03) Zaida Luthey-Schulten
Department of Chemistry
University of Illinois
Urbana, IL 61801
(217) 333-3518

Vice-Chair (8/01-02) To Be Announced

Secretary (8/01-02) To Be Announced

Past Chair (8/01-02) (8/01-02) Arieh Warshel
Dept. of Chemistry, University of Southern California 
Los Angeles CA 90089-1062 
(213) 740-4114

Chair (8/02-03) Martin Head-Gordon
Dept. of Chemistry, University of California, Berkeley 
Berkeley, CA 94720 
(510) 642-5957

Vice-Chair (8/02-03) Sharon Hammes-Schiffer
Department of Chemistry, Penn State University 
152 Davey Laboratory 
University Park, PA 16802 
(814) 865-6442

Chair-Elect (8/02-03) John Straub
Department of Chemistry, Boston University
Boston, MA 02215
(617) 353-6816

Secretary (8/00-03) Anne M. Chaka
Gaithersburg, MD 20899-8380
(301) 975-2481

Past Chair (8/01-02) Edwin L. Sibert
Department of Chemistry, University of Wisconsin 
Madison, WI 53706 
(608) 262-0265

Remarks from the Division Chair for the New Orleans ACS National Meeting Spring 03

John C. Hemminger

The ACS Spring National meeting is upon us again, and Jim Skinner has done a superb job as Physical Chemistry Division program chair in putting together a diverse and exciting program. In New Orleans, Jim has organized eight oral symposia including two on electronic structure: "Iterative methods in quantum mechanics and applications to chemical problems" , and "New electronic structure methods: from molecules to materials"; three in areas of biophysical chemistry: "Physical chemistry of biomolecular motors", "Sequence-dependent curvature and deformation in nucleic acids and protein-nucleic acid complexes", and "Structure-function correlation for biological ion channels". In addition, symposia have been organized on "Spectroscopy and dynamics in liquids", "VUV probes of dynamics and spectroscopy", and "Synthesis, spectroscopy, characterization, and applications of nanoparticles". In addition, the traditional Physical Chemistry Poster session will be held on Wednesday evening. We will be continuing the tradition we began at the last meeting of awarding cash prizes (on-the-spot checks) to the best student presented posters. Please plan to attend the poster session and congratulate the winners.

The spring meeting is also when we honor our colleagues who have won National ACS Awards. The Physical Chemistry Award symposium will be held Tuesday afternoon. Receiving awards this year are: H.F. Schaefer, III (ACS Award in Theoretical Chemistry, sponsored by IBM Corporation), W. H. Miller (Peter Debye Award in Physical Chemistry, sponsored by E. I. Du Pont de Nemours & Company), M. E. Jacox (E. Bright Wilson Award in Spectroscopy), R. L. Christensen (Research at an Undergraduate Institution sponsored by Research Corporation), and L. Blum (Joel Henry Hildebrand Award in the Theoretical and Experimental Chemistry of Liquids, sponsored by ExxonMobil Research and Engineering Co., and Exxon Mobil Chemical Co.).

I would like to invite all Physical Chemistry Division members to become active in the Division. We are always looking for Division Members who would like to represent the Division as officers or executive committee members. If you are interested in participating in this manner, please let any of the Division officers know. Each year at or just prior to the fall meeting the Division Chair appoints a three-person nominating committee to nominate candidates for all the open officer and executive committee positions, and elections are held coincident with the spring meeting. In an organization such as the ACS where the bulk of the work is carried out by volunteers such as the division officers, councilors, and executive committee members, it is important to have diverse and active participation by the division members.

Jim is already well along with the planning for the Fall, 2003, meeting which will be held in New York City next September. I would encourage all of you to provide your suggestions for symposia you would like to see the physical chemistry division organize (or which you would like to organize under the auspices of the division) to David Nesbitt, who is the Program Chair for the 2004 National Meetings. You can also provide suggestions to any of the physical chemistry division executive committee members.

Lastly, I would like to thank the immediate past officers and staff of the Physical Chemistry division for their dedication and hard work. The past Chair, Richard Stratt, has made my job as program chair and now Chair a lot easier with his advice and instruction on how to accomplish things within the ACS. Our secretary/treasurer, Ken Jordan. has worked tirelessly for the Division. His efforts to see that the money flows appropriately and effectively have made the activities at the national meetings work smoothly. Elaine Springel has been our Division administrative assistant for almost a year now. She stepped into this position as we prepared for the Spring, 2002, National Meeting in Orlando and has provided invaluable assistance ever since.

Election Information and Ballot

Dear PHYS Division Member:

The Bylaws of the Division of Physical Chemistry, approved in 1997, call for the Division Chair to appoint a three-person, Nominating Committee before the spring meeting. A complete slate of candidates prepared by this committee will consist of one candidate for Vice-Chair-Elect, one candidate for each vacancy on the Executive Committee, and one candidate for each vacancy that may have developed in the ranks of the division Councilors, Alternate Councilors, and Secretary/Treasurer position. The Vice-Chair-Elect automatically becomes the Vice-Chair, Chair-Elect, Chair, and Immediate past-Chair in each succeeding year. Thus, this person makes a commitment to serve five years on the Executive Committee. In the year this person serves as Chair-Elect, the duties of Program Chair are also his or hers. The term of office for other Executive Committee members, Councilors, and Alternate Councilors is three years. The Secretary/Treasurer serves five years.

The Secretary/Treasurer is required to announce the slate of candidates in the fall newsletter (which is part of the abstract separates for the fall meeting).

To increase the input of the members in this nominating process and to broaden the pool of candidates, the Executive Committee seeks input directly from members for use by the Nominating Committee. Any member may suggest nominees to any of the officers of the PHYS division in writing. The nominee must agree to serve.

Additional nominations can come from the membership in the following fashion: A petition candidate must be supported by the signatures of not fewer than 4% of the members of the PHYS division in good standing (presently approximately 4,000).   No signature shall be valid if it appears on more than one nominating petition for the same vacancy during the same calendar year.

A letter shall be submitted from each petition nominee stating willingness to be a candidate for election and to serve the Division for a full term if elected. No nominee may be a candidate for more than one vacancy. If nominated for more than one vacancy, the nominee must choose which nomination to accept.

Four weeks from the date of the mailing of the fall newsletter shall be allowed for additional nominations to be received by the Secretary/Treasurer. All valid nominations received within that period shall be accepted and no others.

If no valid nominations are forthcoming from the membership, the nominees submitted by the Nominating Committee for Vice-Chair-Elect, Secretary/Treasurer, and membership on the Executive Committee are declared elected.

Regardless of whether petition nominees are validated or not, the Bylaws require the Secretary/Treasurer to mail to every PHYS division member a ballot that bears at a minimum the names of biographical sketches of the single candidates for each Councilor and Alternate Councilor vacancy submitted by the Nominating Committee.

New Officers for the PHYS division follow. The first seven physical chemistry officers assumed their respective offices at the close of the national meeting in Chicago. The Councilors and vice-councilors begin their terms of service on January 1, 2002.
John C. Hemminger, Chair
James L. Skinner, Chair-Elect
David Nesbitt, Vice-Chair 
Barbara Garrison, Vice-Chair Elect
Stephen Bradforth, Executive Committee
John Hellgeth, Executive Committee
Jeanne Robinson, Executive Committee
John Adams, Councilor
Marsha I. Lester, Alternate Councilor
Gil Nathanson, Alternate Councilor
1 year
1 year
1 year
1 year
3 years
3 years
3 years
3 years
3 years
3 years

The Physical Chemistry Division thanks outgoing officers Richard M. Stratt (Chair), John C. Hemminger (Chair-Elect), James Skinner (Vice-Chair), David Nesbitt (Vice-Chair-Elect), Steven Buntin (Executive Committee), Barbara Garrison (Executive Committee), Alexander Harrison (Executive Committee), Edward M. Eyring (Councilor), Paul Houston (Alternate Councilor), and Gregory Voth (Alternate Councilor) for their service to the Division.

Notes from the Secretary/Treasurer

Kenneth D. Jordan

This newsletter contains information about the ACS national meetings and any other items of interest to significant numbers of PHYS division members. All members of the PHYS Division are welcome to submit items to the Secretary for inclusion in this newsletter. The deadlines are generally around December 1 and May 1 for the newsletters appearing before the Spring and Fall ACS meetings, respectively. Submissions may be made via mail, FAX, or e-mail.

The current ACS Bylaws & Regulations may be viewed at:


A copy of the bylaws and regulations is also included on the Division's web page.

Biophysical Subdivision

Peter G. Wolynes

Subdivision membership is free to dues-paying members or affiliates of the Division of Physical Chemistry. To join the Biophysical Subdivision, notify the Chair, Peter G. Wolynes, at the address in the table of officers. Indicate that you wish to join and mention that you belong to the PHYS Division. If you do not belong to the Division, you may join both the Division and the Biophysical Subdivision by completing the application form at the end of this newsletter.

Student Poster Awards

John C. Hemminger

At the Fall 2002 National ACS meeting in Boston the Physical Chemistry Division initiated graduate student poster awards. Five awardees were chosen and received cash awards of $300 each. The recipients were:

The poster-award program will be continued for the Spring National meeting to be held in New Orleans. Students presenting posters will be contacted by James Skinner, the Program Chair and invited to participate.

Request for Symposia Topics and Speakers

The Executive Committee solicits formal suggestions for symposia and speakers for the meetings to be held in future years. The Executive Committee will meet in New Orleans in March, 2003, to plan the programs for 2005. Please send your suggestions to the 2005 Program Chair, Barbara Garrison, at the address in the table of officers. The deadline for receipt of suggestions is February 15, 2004. These suggestions will be essential input for organizing the programs of the meetings. For greatest effectiveness, follow these suggestions:
a) Recommend a symposium topic, organizer, and list of suggested speakers (a list of recent PHYS symposia follows for informational purposes).
b) Provide a brief description of the significance of the symposium.
Recent Symposia Topics
219th ACS National Meeting San Francisco, CA March 26-31, 2000 Aperiodic Metals & Metallic Glasses: Surface Properties
Atmospheric Chemistry (Harold Johnston Festschrift)
Modern Electronic Structure Theory: Celebrating the 1998 Nobel Prize in Chemistry
Patterning, Functionalization, & Reactivity of Complex Solid Surfaces
Physical Chemistry at Chirality
Physical Chemistry at High Pressure & Temperature
Potential Energy Surfaces: From Polyatomics to Macromolecules
Proteins 2000: Frontiers of Protein Structure & Function
220th ACS National Meeting Washington, DC August 20-20, 2000 Chemical Applications of Neutrons
Chemistry Under Extreme Conditions
Dynamics in Liquids
Femtochemistry: 1999 Nobel Prize Symposium
Frontiers in Biophysical Theory
Industrial Applications of Theoretical Chemistry
Physical Chemistry of Nucleic Acids: In Memory of Matter Petersheim
Proton Transport in Liquids, Solids, & Proteins
Quantum Computing for the Next Millenium
Very Low Temperature Dynamics & Spectroscopy
221st ACS National Meeting San Diego, CA April 1-5, 2001 Accurate Description of Low-Lying Molecular States & Potential Energy Surfaces
Chemical Approaches to Photonic Crystals
Energy Landscapes of Proteins, Glasses, & Clusters: Dynamics, Folding, 
Function, & Prediction
Molecular Photoelectron Spectroscopy
Optical Studies of Single Molecules & Molecular Assemblies in Chemical Physics & Biophysics
Probing Molecular Aqueous Environments in Chemistry & Biology
Strong-Field Chemistry: Molecules & Clusters in Intense Laser Fields
222nd ACS National Meeting Chicago, IL August 26-30, 2001 Computational Chemistry in the Undergraduate Curriculum
Dissociative Recombination of Molecules with Electrons 
First Principles Simulation of Chemical Dynamics
Molecular Electronics
Physical Chemistry of Gas-Particle Interactions
Signal Processing Chemistry
Stereochemistry in Aligned Environments
Three-Dimensional Si-O Cages: Materials for the 21st Century
What Can We Really Learn about Condensed Phases from Clusters?
223rd ACS National Meeting Orlando, FL April 7-11, 2002 Biophysical Chemistry of Protein Binding Events
Chemistry & the Environment in the 21st Century: Environmental Chemistry at Interfaces
Dynamics & Friction at Submicron Confining Systems
Frontiers in Chemical Dynamics
Mechano-Chemistry & Forces in Biophysics
Modern Aspects of Structure Function Correlations of Biomolecules:
Electrostatic Aspects
Modern Aspects of Structure Function Correlations of Biomolecules: Enzyme Action
Modern Aspects of Structure Function Correlations of Biomolecules: Phosphoryl & Nucleotidyl Transfer Reactions
Molecular Modeling & Simulation of Reaction Mechanisms, Kinetics, & Catalysts
Organic & Molecular Electronics
224th ACS National Meeting Boston, MA August 18-23, 2002 Applications of Neutron Scattering in Structural Biology & Biophysics
Biologically Relevant Molecules in the Gas Phase
Classical & Quantum Statistical Mechanics Studies of Solvation
Chemical Studies Important To Astrobiology
Frontiers in Atmospheric Chemistry
Mesoscale Phenomena in Fluid Systems
New Developments in Force Fields for Molecular Modeling
Nonlinear dynamics on Polymeric Systems
Ordered Molecular Assemblies of Nanoparticles

Spring Meeting
Technical Program
March 23-27, 2003 - New Orleans, LA

The 225th American Chemical Society National Meeting will take place in New Orleans, LA, during the week of March 23-27, 2003. Dr. James L. Skinner, 2003 Physical Chemistry Division Program Chair, has arranged a broad range of topics in modern physical chemistry to be featured in symposia and a general poster session at this meeting. The topical symposia and their organizers are:

A significant portion of the Division's annual income is provided by the ACS, based in part on Division members' attendance at the national meetings. On the advance meeting registration form, you will see a question such as that given below. If you list the Physical Division, you will contribute to our income and allow the Division to offer better symposia.

"Please list ALL of the division(s) to which you belong: ____________________________________."

Fall Meeting
Call for Papers
September 7-11, 2003 - New York City, NY

Program Chair: James L. Skinner, University of Wisconsin, Department of Chemistry, Madison, WI, 53706; (608) 262-0481, fax (608) 262-9918; skinner@chem.wisc.edu.

Online abstract submission for this meeting begins approximately mid-February. Please see http://www.acs.org/meetings/abstract/abinfo.html for abstract submission access and guidelines. Only electronic abstracts via the ACS online submittal system, OASys, will be accepted, except by special arrangement with the ACS symposium organizers before approximately the end of February. You can check the Division's website for specific deadlines. The web page is http://hackberry.chem.trinity.edu/PHYS.

Submit your abstract online at the ACS website: http://www.acs.org/meetings/abstract/abinfo.html. Please see the following for more information regarding submission. As is now customary, Program Chair Skinner has arranged for the presentation of contributed talks in each of the topical symposia. The contributed talks will be selected by the individual symposium organizers from among abstracts that explicitly request consideration for oral presentation. The criterion for selection will be close connection with the topics addressed in the symposia. Abstracts not selected for oral presentation will be assigned to the poster session(s), unless the authors request otherwise. Since the organizers will not be able to accommodate all requests, the poster sessions will be specifically organized to group posters by symposium topic. While the symposia do cover a wide range of topics, they cannot cover the full depth and breadth of physical chemistry. The Division, therefore, also welcomes general contributions to the poster sessions, which will be grouped by subject area.

Restrictions on Speakers for PHYS Symposia

A speaker may give, at most, one invited talk in the PHYS division in any given meeting . Note that this rule does not apply to contributed talks and posters, so there is still plenty of opportunity for all physical chemists to present their research results in the PHYS division.

Submission of Abstracts

Abstract Requirements Submit a 150-word abstract via the ACS web-based submission system, OASys. Submission instructions and information on abstract requirements can be found at the ACS Web site, http://www.acs.org/meetings.

Request for Contributed Oral Presentations : Authors who submit a contributed paper to the program and wish their abstract to be considered for possible oral presentation in a topical symposium must indicate such preference. The abstract should be submitted to the symposium in which oral presentation is desired and is due one week prior to the deadline.

General Information for Contributed Papers

General Papers - Members are cordially invited to present papers at the poster sessions. Abstracts should be submitted as instructed on the ACS Meetings web page, http://www.acs.org/meetings. The deadline, as published in C&E News, on the OASys web site, and the call for papers must be observed to allow the ACS to compile the program and to print and to circulate the abstracts.

Information and Rules Applying to All Contributed Poster Papers

  1. No paper will be accepted unless an author expects to be present.
  2. ACS Bylaws 3(a) require that "papers by American Chemists or chemical engineers not members of the Society shall not appear on the program unless they be joint with one or more Society members."
  3. Prospective poster presenters who also submit papers to other Divisions should inform the Chairman-Elects as to the Division, titles of papers and co-authors by the deadline date.
  4. Each poster paper will have a poster board measuring 4"x8".
  5. All illustrations, charts, and textual material to be posted must be prepared in advance since materials for these purposes will not be available at the meeting.
  6. Posters should be mounted prior to the opening of the session and left in place until the close. Authors are encouraged to be present the entire session.
  7. There must be a heading (with letter at least 1" height) giving the title of the papers, the author(s), their affiliation(s), and the number assigned to it in the program.
  8. Illustrative material will be read by attendees from a distance of 3' or more, so lettering on illustrations should be at least 3/8" high.
  9. There should be a logical sequence (introduction, development and conclusion) to the display and each sheet should be numbered.
  10. Mounting the sheets on colored construction paper and using other techniques for improving graphic impact will enhance the presentation's effectiveness. Ease of reading is far more important than artistic flair. Certain color combinations, for instance, may look beautiful but may be almost impossible to read, especially in the absence of optimum lighting.
  11. Do NOT mount illustrations on heavy stock, which is difficult to mount on the poster boards.
  12. Each author is responsible for mounting his or her material at least 1/2 hour prior to the opening of the assigned poster session and removing it within 1/2 hour after the close of the session. ACS cannot assume any responsibility for materials beyond those time limits.
  13. Do provide sign-up sheets to record names and addresses of attendees who wish more information.
  14. Do bring duplicates of data and conclusions. Duplicating facilities are unavailable through ACS.
  15. ACS provides a modest supply of pushpins, masking tape, and felt-tipped pens, but it is wise to bring your own. Upon advance request, ACS will arrange for blackboards to be available in the room.
  16. Admission to poster sessions will be by ACS meeting badge only.
  17. A poster paper submitted to the Program Chair (before the deadline) for presentation at a national meeting should be considered accepted unless the author is specifically notified to the contrary by the Division of Physical Chemistry Program Chair.

Future National ACS Meetings

New York City, NY September 7-11, 2003 

Program Chair: Professor James L. Skinner 
Department of Chemistry, Univ of Wisconsin 
Madison, WI, 53706, skinner@chem.wisc.edu

Anaheim, CA March 28-April 1, 2004 

Program Chair: Professor David Nesbitt 
Department of Chem & Biochem, Univ of Colorado
Boulder, CO, 80309, djn@jila.colorado.edu

Philadelphia, PA August 22-26, 2004

Program Chair: Professor David Nesbitt 
Department of Chem & Biochem, Univ of Colorado
Boulder, CO, 80309, djn@jila.colorado.edu

San Diego, CA March 13-17, 2005

Program Chair: Barbara Garrison 
Department of Chemistry, Penn State University 
University Park, PA, 16802, bjg@psu.edu


ACS Prospectives Conferences:

The Dynamic Proteome: Interactions and Regulation
Chairs: John Yates III, Scripps Research Institute, Joshua LaBaer, Harvard Medical School

Boston Park Plaza Hotel, Boston, MA
November 10-13, 2002

Process Chemistry in the Pharmaceutical Industry
Chairs: Kumar Gadamasetti, X-Mine, Inc., Mike Martinelli, Eli Lilly

Condado Plaza Hotel, San Juan, Puerto Rico
February 2-5, 2003

Catalysis in Modern Organic Synthesis
Chairs: Stephen Buchwald, MIT, Gregory Fu, MIT, Eric Jacobsen, Harvard University

Cambridge Marriott, Cambridge, MA March 2-5, 2003

For more information, please contact John Katz, ACS Prospectives, (800) 227-0558

2003 Midwest Theoretical Chemistry Conference, June 12-14, 2003

For more information, please go to: http://www.pmodels.org/~mwtcc/

American Chemical Society 
Division of Physical Chemistry 
Subdivision of Theoretical Chemistry 
Subdivision of Biophysical Chemistry

We invite you to encourage non-members to join the PHYS division. It is the professional organization devoted to physical chemistry and physical chemists and can be most successful with maximum participation by physical chemists. Some of the more practical advantages of membership are:
  1. Members receive, in advance, abstracts of the papers to be delivered in the Division of Physical Chemistry programs at national meetings of the ACS
  2. Members receive a newsletter with the abstracts of the National meetings listing future symposia and divisional meetings and giving the deadlines for submission of papers to be presented at these meetings. The newsletter is included with the abstracts of papers for convenience.
  3. Members receive discounts on the purchase price of the complete bound books of meeting abstracts. Discounts for other books and journals are also available, and new arrangements are negotiated from time to time.
  4. The Division of Physical Chemistry is an affiliate of the American Institute of Physics, and members of the Division are eligible for a discount on various AIP publications including The Journal of Chemical Physics.
  5. The Division holds mixers at each national meeting of the ACS at which a division program is presented. These events are held in conjunction with a poster session and provide an excellent opportunity to meet other physical chemists.
  6. Members may vote and hold office in the Division and participate in its activities. Division Affiliates may not vote and may not hold office. Members and Affiliates are invited to suggest symposium topics, speakers, and organizers.
  7. The Division maintains a close relationship with the Journal of Physical Chemistry. Through the Division programs and through cooperation with the Journal of Physical Chemistry, we seek to call attention to the vigorous and dynamic character of physical chemistry in this country and to stimulate intellectual cross-fertilization between the different fields of research in physical chemistry.
  8. The Division mounts important award symposia. The Debye, Hildebrand, and Theoretical Chemistry awards are given each year, the Langmuir Award every other year by the ACS. In addition, the Pure Chemistry and Nobel Laureate Signature awards are frequent features in Division symposia.
  9. In 1978, the Division established the Subdivision of Theoretical Chemistry. There is no additional fee for membership in the Subdivision. The subdivision provides special services and participates fully in developing symposium topics at the national meetings, specifically for the theoretically inclined.
  10. In 1978, the Division established the Subdivision of Biophysical Chemistry. There is no additional fee for membership in the Subdivision. The subdivision provides special services and participates fully in developing symposium topics at the national meetings, specifically for the biophysically inclined.