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What is in this home page?
What are the mission and scope of the RCC book series?
What have reviewers written about books of this series?
Do you want to be an RCC author?
Frequently asked questions (FAQ). What, why, and who? Tidbits and other helpful information.

What is in this home page?

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The items in this home page were designed to be easy and quick to print or download to any computer in the world. The pages do not have a lot of large graphics files nor glittery animations to entertain. Instead the contents are designed to be read and easily saved on your computer for future reference. There are already so many crisscrossing hyperlinks available on the Web, this home page was designed as a terminus, rather than a hub.

Besides general information about the books, this home page gives inclusive pagination for each chapter in each published volume, so these data are readily available to individuals who wish to cite a chapter. The "Author and Subject Index" pages are provided as a free online citation index of published volumes.

This home page is also used to distribute supplementary material, color graphics, errata, and other items the authors ask to be posted. Chapters for which items are available are signified by having a hypertext link where they are listed in the tables of content.

If you experience any problems in using this home page, please let us know.

What are the mission and scope of the RCC book series?

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Reviews in Computational Chemistry is a book series encompassing all aspects of computational chemistry. In the first volume (Volume 1, 1990), we set forth the intended scope of the book series and defined computational chemistry as "those aspects of chemical research that are expedited or rendered practical by computers." We do not view computational chemistry and theoretical chemistry as synonymous. Although the scope of the series does include quantum mechanics (which is well covered in several very old book series), RCC also embraces molecular mechanics, molecular simulations, computer-aided molecular design, molecular modeling, computer graphics, chemical information, quantitative structure-activity relationships, computer-assisted structural chemistry, computational biology, and other emerging computer-aided molecular research technologies. Some researchers use the terms "molecular modeling" and "computational chemistry" interchangeably. We subscribe to this usage of terminology.

Unlike most review series, RCC considers teaching the methodologies to newcomers a very important part of its mission. Many chapters have both introductory and advanced material. Chapters written as tutorials are valuable adjuncts to textbooks in more traditional disciplines. At the same time, the advanced material in each volume will be of interest to practicing computational chemists. The volumes published to date have become a standard reference source in the field thanks to the respected experts who have been the authors. The aim was to produce books that proactively help the reader, rather than end up in archival collections gathering dust on a bookshelf.

Reviews in Computational Chemistry is the original book series devoted to this expanding field of growing importance. The popularity of the books has recently led other publishers to launch book series with similar missions and even similar names.

Although it should be obvious to anyone, no single volume in the series can cover all topics of interest to all computational chemists and allied professionals. Nor is it likely that one single chapter will cover all aspects of a subject. However, the existing and future volumes of RCC, when taken in total, will hopefully constitute a useful panorama of the field.

Is there a topic that you think should be covered in the book series? The editors appreciate and welcome suggestions of topics for future coverage, as well as inquiries about writing a chapter.

What have reviewers written about books of this series?

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Here is a representative sampling of published comments about RCC.

Do you want to be an RCC author?

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Most of the chapters in RCC are written by invitation, but all inquiries and suggestions are given serious consideration. Chapters that cover a facet of computational chemistry that is both new to the book series and of wide interest to the community are clearly welcome. Chapters that give a different perspective or significantly update a subject covered in an earlier volume may also be acceptable.

If you are thinking of writing a chapter, consider these questions: Are you thoroughly familiar with an important area of computational chemistry? Will the topic be of wide interest, including computational chemists and other molecular scientists? If a similar topic has been covered in a prior volume, do you feel it should be updated or presented with a different slant? Do you have the desire to teach what you know so that it will help others and advance the field? Do you write well?

Authors were asked to point out strengths and pitfalls associated with methods they discuss and to give fair and balanced coverage of a topic.

Why should you pick Reviews in Computational Chemistry for publishing your work? The book series is well respected and is the original one covering the whole field. The many appraisals of the published volumes are typified by the comments of book reviewers. The editors work with the authors to ensure the highest quality product possible. Quality assurance standards increase the pedagogical value of the chapters and ensure that an author's work will have greater sustained importance. The lasting value of the books is indicated by the fact that the early volumes have already enjoyed multiple printings.

Frequently asked questions (FAQ). What, why, and who? Tidbits and other helpful information.

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Questions Answers
What is the history of the editorship of the book series? The idea for this book series originated at Indiana University - Purdue University Indianapolis (IUPUI) in 1988. Dr. Kenny B. Lipkowitz was a professor in the IUPUI Department of Chemistry of the School of Science. He had training as an organic chemist and wanted to learn about computational chemistry. Dr. Donald B. Boyd was a computational chemist at Lilly Research Laboratories, Eli Lilly and Company (Indianapolis) and had expertise in quantum chemistry, molecular mechanics, quantative structure-activity relationships (QSAR), and computer-aided drug design (CADD). Dr. Lipkowitz and Dr. Boyd had collaborated in the 1980s to initiate two symposia for the benefit of the field of computational chemistry. Dr. Lipkowitz and Dr. Boyd saw the need for a book series to help scientists learn about the rapidly growing field.

In 1988 and 1989, Dr. Lipkowitz and Dr. Boyd contacted publishers and lined up authors for the first volume. It was published by VCH Publishers (New York City) in the spring of 1990. Although the first volume was published as a single book, the editors always foresaw this to be the beginning of a book series. Work immediately began on a second volume. Volumes 2-5 had Arabic numerals on the cover and Roman numerals (II-V) on the title page, but subsequent volumes were given Arabic numerals on both the cover and title page.

After producing 18 volumes in 12 years, Dr. Boyd retired as co-editor in 2002 and became Editor Emeritus. Professors Raima Larter and Thomas R. Cundari were brought on board to be co-editors with Dr. Lipkowitz. They edited Volumes 19-21. Dr. Larter, an expert in nonlinear dynamics and chaos, and Dr. Lipkowitz are married. Dr. Cundari, with expertise in quantum mechanics, was on the editorial board of the Journal of Chemical Information and Computer Sciences when Dr. Lipkowitz was Associate Editor of the journal.

For Volume 22, Dr. Valerie J. Gillet (University of Sheffield, UK) was named to replace Dr. Larter because of the latter's potential conflict of interest at the National Science Foundation (Washington, DC). Dr. Gillet brought an international perspective and expertise in the emerging field of cheminformatics.

Volumes 23-26 were edited by Dr. Lipkowitz (living in Virginia) and Prof. Cundari (University of North Texas). Since 2002, the editors have produced one volume per year.

Volume 24 was unique in the series in that the entire contents were written by Dr. Martin Schoen and Dr. Sabine Klapp (Berlin Technical University, Germany).

What is the legacy of RCC? The book series increased the understanding that computational chemistry encompasses many topics besides quantum chemistry, and the field continues to grow and evolve in interesting directions and capabilities.
What are the original editors doing now? Dr. Boyd is still at IUPUI doing research.

In 2003, Dr. Lipkowitz left the beautiful sunny climate of Indianapolis and moved to Fargo, North Dakota. While in North Dakota, he intended to develop his own website for RCC Vol. 19 and beyond. After only one year, he retired and moved to Virginia, where he worked part-time on the book series. In 2006, he re-entered the ranks of the employed in Washington, DC, overseeing research proposals, first for the American Chemical Society (ACS) and then for the Office of Naval Research (ONR).

Is RCC cited very much? In 2001, the citation impact of RCC rose to be among the top ten of all chemistry publications, along with Chemical Reviews, Accounts of Chemical Research, and the Journal of the American Chemical Society.
How does RCC compare to other publications in terms of citation impact factor? Reviews in Computational Chemistry is the top ranked publication in the field. According to data in the Thomson JCR database (July 2005), RCC has the highest ranking of Mean Impact Factors for the five-year period 1999-2004 compared to the following publications in the field:
  • Reviews in Computational Chemistry
  • Journal of Computational Chemistry
  • Advances in Chemical Physics
  • Journal of Chemical Information of Computer Sciences
  • Journal of Computer-Aided Molecular Design
  • Journal of Molecular Graphics and Modelling
  • Chemical Physics Letters
  • Theoretical Chemistry Accounts
  • Journal of Chemometrics
  • Quantitative Structure-Activity Relationships
  • Molecular Physics
  • Computational Biology and Chemistry
  • Journal of Theoretical Biology
  • Journal of Molecular Modeling
  • International Journal of Quantum Chemistry
  • Journal of Biomolecular Structure and Dynamics
  • Computers and Chemistry
  • Advances in Quantum Chemistry
  • Computational and Theoretical Polymer Science
  • Journal of Molecular Structure
  • Molecular Simulations
This is the rank order of citation impact factors as developed by the Institute of Scientific Information in Philadelphia (ISI is now part of Thomson).
Who are the most cited individuals in the references of the first 12 volumes of RCC? Peter A. Kollman and Martin Karplus are essentially tied for first place. The next 15 most cited are, in alphabetical order:
  • Norman L. Allinger
  • H. J. C. Berendsen
  • Jeffrey M. Blaney
  • Charles L. Brooks III
  • William L. Jorgensen
  • J. Andrew McCammon
  • John A. Pople (Nobel Laureate, 1998)
  • Harold A. Scheraga
  • U. Chandra Singh
  • James J. P. Stewart
  • Donald G. Truhlar
  • Wilfred F. van Gunsteren
  • Arieh Warshel
  • Paul K. Weiner
  • Peter Willett
Are there authors, other than one of the editors, who have written more than one chapter? Yes.
  • Peter Willett in Volumes 1 and 7
  • Yvonne C. Martin in Volumes 1 and 11
  • Jeffry D. Madura in Volumes 4, 5, and 22
  • Jeffrey M. Blaney in Volumes 5 and 10
  • Geoff M. Downs in Volumes 7 and 18
  • Tjerk P. Straatsma in Volumes 9 and 12
  • David E. Clark in Volumes 11 and 16
How were the colors of the book covers selected? The distinctive red color of the books represents three institutions. Red is the company color of Eli Lilly and Company, where Dr. Boyd was located when the book series began. Indiana University's colors are cream (white) and crimson (red). Purdue University's colors are gold and black. Adopting one color from each its historical academic parents, the colors of Indiana University - Purdue University Indianapolis are red and gold. This explains the significance of the red, white, black, and gold colors. The bright cover of RCC has led to it being referred to as "le livre rouge" in France.
Were the books ever out of print? Due to the popularity of the book series, the publisher's inventory of Volumes 1-3 was depleted in 2000, but additional copies with a plain cover were reprinted in 2001. Please notify the editors if you encounter a problem obtaining a volume you need.
What was the Wiley Lecture Series in Computational Chemistry? John Wiley and Sons and the IUPUI Department of Chemistry co-sponsored an annual lecture in computational chemistry at IUPUI. Most speakers were RCC authors. An honorarium was awarded with this event.

  • Dr. Yvonne Connolly Martin (Abbott Laboratories, Illinois), 3-D Databases: Opportunities and Challenges to their Use in Drug Discovery, 18 January 1995.
  • Prof. Tamar Schlick (New York University), Molecular Dynamics Simulations and Supercoiled DNA, 17 April 1996.
  • Dr. James J. P. Stewart (Fujitsu, Colorado), MOZYME, A Program for Semiempirical MO Calculations on Proteins, 26 February 1997.
  • Prof. David L. Beveridge (Wesleyan University, Connecticut), Free Energy Analysis of Protein-DNA Binding, 4 November 1998.
  • Dr. David Spellmeyer (CombiChem, California), Computational and Combinatorial Chemistry: Cross-discipline Impact, 20 October 1999.
  • Dr. Richard Judson (Genaissance Pharmaceuticals, Connecticut), Informatics From Chem to Bio: The Intersection of Science, Engineering, Medicine, and Computing, 18 October 2000.
  • Dr. Charles Brooks III (The Scripps Research Institute, California), Understanding Peptide and Protein Folding: Thermodynamics, Mechanism, and Kinetics, 24 October 2001.
  • Dr. Mark Murcko (Vertex Pharmaceuticals, Massachusetts), Design and Clinical Development of ICE Inhibitors, 18 September 2002.
Does VCH Publishers still produce this book series? Volume 10 (available at the beginning of 1997) was the last volume produced by the New York City office of VCH Publishers. VCH, an old, well respected publisher headquartered in Germany, produced Angewandte Chemie, among other publications. In May 1996, VCH was acquired by John Wiley and Sons, the largest USA-based commercial publisher of chemistry. Reviews in Computational Chemistry continues to be produced by under the name Wiley-VCH. Wiley is also the publisher of the well respected Journal of Computational Chemistry, International Journal of Quantum Chemistry, and Encyclopedia of Computational Chemistry.
Are electronic versions of chapters available? The publisher plans to have these ready in 2007.
What is the history of this home page? In 1995, this home page was the first one on the World Wide Web devoted to a book series in the field of chemistry. Maybe in any field?
How often was this home page visited in the early days? From August 1997 through September 1998, the number of visits grew from about 300 per month to about 400 per month.
How does this home page rank in the Google search engine? Since Google became the predominant search engine in 2001, this RCC home page has generally ranked in the top 5 hits for the search term "computational chemistry". The Google hits are ranked by a secret formula based on relevance and the number of times a website is visited.
What is the Universal Resource Location (URL) of this home page? The original URL was In August 1997, an alternate address,, was added to help surfers from corporations with a policy of screening out Web sites containing a tilde in the URL.
May authors post their manuscripts on the World Wide Web? Published material cannot be distributed without permission of the copyright holder, which is the publisher (Wiley).
What is the format for citations to chapters that have appeared in Reviews in Computational Chemistry? The format required depends on the journal. For instance, the recommended format of references in most ACS journals to chapters that have appeared in Reviews in Computational Chemistry is:

  • Author1, A. B; Author2, C. D.; Author3, E. F. Title of chapter. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 199X; Vol. 00, pp 000-000.
What is the format for references in Reviews in Computational Chemistry itself? In Reviews in Computational Chemistry, the required formats to chapters and journal articles are, respectively:

  • A. B. Author1, C. D. Author2, and E. F. Author3, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 199X, Vol. 00, pp. 000-000. Title of Chapter.
  • A. B. Author1, C. D. Author2, and E. F. Author3, Journal_Name, 00, 000 (199X). Title of Article.
Are references, in the required format, to chapters in Reviews in Computational Chemistry available online? Yes, a listing is available on the Web.

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