This is a list of publications in chemistry, organized by field. Some factors that correlate with publication notability include: *Topic creator – A publication that created a new topic. *Breakthrough – A publication that changed scientific knowledge significantly. *Influence – A publication that has significantly influenced the world or has had a massive impact on the teaching of chemistry.

Foundations

''The Sceptical Chymist''

* Description: Boyle, in the form of a dialogue, argued that chemical theories should be firmly grounded in experiment before their acceptance, and for the foundation of chemistry as a science separate from

medicine Medicine is the science and Praxis (process), practice of caring for patients, managing the Medical diagnosis, diagnosis, prognosis, Preventive medicine, prevention, therapy, treatment, Palliative care, palliation of their injury or disease, ...

and

alchemy Alchemy (from the Arabic word , ) is an ancient branch of natural philosophy, a philosophical and protoscientific tradition that was historically practised in China, India, the Muslim world, and Europe. In its Western form, alchemy is first ...

. Importance: Topic Creator, Influence. Boyle, in this book, became the first to argue that experiment should form the basis of all theory, a common practice in chemistry today. He also expounded on a rudimentary

atomic theory Atomic theory is the scientific theory that matter is composed of particles called atoms. The definition of the word "atom" has changed over the years in response to scientific discoveries. Initially, it referred to a hypothetical concept of ...

and the existence of chemical elements beyond the classic earth, fire, air, and water. He is seen as the father of chemistry, and this is his most celebrated book, with continued relevance to the present day.

''Traité Élémentaire de Chimie''

* Traité Élémentaire de Chimie (available in English as ''Elementary Treatise of Chemistry'') -

Antoine Lavoisier Antoine-Laurent de Lavoisier ( ; ; 26 August 17438 May 1794), When reduced without charcoal, it gave off an air which supported respiration and combustion in an enhanced way. He concluded that this was just a pure form of common air and that i ...

, 1789 Description: This book was intended as an introduction to new theories in chemistry and as such, was one of the first Chemistry textbooks. Importance: Introduction, Influence. Aside from being one of the first chemistry textbooks, the book was one of the first to state the

law of conservation of mass In physics and chemistry, the law of conservation of mass or principle of mass conservation states that for any system closed to all transfers of matter the mass of the system must remain constant over time. The law implies that mass can neith ...

, define a chemical element, and contain a list of known elements.

''Méthode de Nomenclature Chimique''

* Guyton de Morveau, L. B.; Lavoisier, A. L.; Berthollet, C. L.; de Fourcroy, A. F. * ''Méthode de Nomenclature Chimique'', Paris, 1787, available in English as ''Chymical Nomenclature''. * Some details and a picture available at IUPAC nomenclature#History Description: This publication laid out a logical system for naming

chemical substance A chemical substance is a unique form of matter with constant chemical composition and characteristic properties. Chemical substances may take the form of a single element or chemical compounds. If two or more chemical substances can be com ...

s (mainly

chemical element A chemical element is a chemical substance whose atoms all have the same number of protons. The number of protons is called the atomic number of that element. For example, oxygen has an atomic number of 8: each oxygen atom has 8 protons in its ...

s and

inorganic compound An inorganic compound is typically a chemical compound that lacks carbon–hydrogen bonds⁠that is, a compound that is not an organic compound. The study of inorganic compounds is a subfield of chemistry known as ''inorganic chemistry''. Inorgan ...

s). Importance: Prior to this publication, a multitude of names were often used for the same substance. This publication led to an international consensus on how to name chemical substances.

''A New System of Chemical Philosophy''

* ''A New System of Chemical Philosophy'' -

John Dalton John Dalton (; 5 or 6 September 1766 – 27 July 1844) was an English chemist, physicist and meteorologist. He introduced the atomic theory into chemistry. He also researched Color blindness, colour blindness; as a result, the umbrella term ...

, 1808–1827 Description: This book explained Dalton's theory of atoms and its applications to chemistry. Importance: The book was one of the first to describe a modern atomic theory, a theory that lies at the basis of modern chemistry. It is the first to introduce a table of atomic and molecular weights. Surprisingly, given the period in which the book was written, of the five properties of atoms that Dalton listed, only two have been shown to be incorrect.

''The Dependence Between the Properties of the Atomic Weights of the Elements''

* ''The Dependence Between the Properties of the Atomic Weights of the Elements'' -

Dmitri Mendeleev Dmitri Ivanovich Mendeleev ( ; ) was a Russian chemist known for formulating the periodic law and creating a version of the periodic table of elements. He used the periodic law not only to correct the then-accepted properties of some known ele ...

* ''Zeitschrift für Chemie'' 12, 405–406 (1869)
Online version
Description and Importance: In this paper the

periodic table The periodic table, also known as the periodic table of the elements, is an ordered arrangement of the chemical elements into rows (" periods") and columns (" groups"). It is an icon of chemistry and is widely used in physics and other s ...

was introduced. Notice that the table in the above link is the original one. Since then the table structure was slightly changed and new elements were added to it.

Organic chemistry

''Science of Synthesis: Houben–Weyl Methods of Molecular Transformations''

* Volume titles are her

* Thieme: Stuttgart, 48 volumes, 2000–2009 (print and electronic version available) Description: Contains synthetic models selected by world-renowned experts, with full experimental procedures and background information. Considers methods from journals, books, and patent literature from the early 19th century up to the present day and presents important synthetic methods for all classes of compounds. Critically evaluates the preparative applicability and significance of the synthetic methods. Importance: A reference publication.

''March's Advanced Organic Chemistry: Reactions, Mechanisms, and Structure''

* Michael Smith (chemist), Michael B. Smith, Jerry March * Wiley-Interscience, 5th edition, 2001, * Wiley-Interscience, 6th edition, 2007, Description: A comprehensive reference for organic chemistry with over 25,000 references. Importance: A reference publication.

''The Logic of Chemical Synthesis''

Elias James Corey Elias James Corey (born July 12, 1928) is an American organic chemist. In 1990, he won the Nobel Prize in Chemistry "for his development of the theory and methodology of organic synthesis", specifically retrosynthetic analysis. Regarded by ma ...

, Xue-Min Cheng *Wiley-Interscience, 1995, Description: Describes the logic underlying the rational design of complex

organic synthesis Organic synthesis is a branch of chemical synthesis concerned with the construction of organic compounds. Organic compounds are molecules consisting of combinations of covalently-linked hydrogen, carbon, oxygen, and nitrogen atoms. Within the gen ...

. Importance: Breakthrough, Influence

''Protective Groups in Organic Synthesis''

* Theodora Greene, Peter G. M. Wuts *Wiley-Interscience, 1st edition, 1981 *Wiley-Interscience, 2nd edition, 1991 *Wiley-Interscience, 3rd edition, 1999, *Wiley-Interscience, 4th edition, 2007, *Wiley-Interscience, 5th edition, 2014, Description: A comprehensive reference for the usage of

protecting group A protecting group or protective group is introduced into a molecule by chemical modification of a functional group to obtain chemoselectivity in a subsequent chemical reaction. It plays an important role in multistep organic synthesis. In man ...

s in

. Importance: A reference publication.

''Comprehensive Organic Transformations''

* Richard C. Larock *Wiley-VCH *1st edition: *2nd edition: 1999, Description: A standard reference for the practicing organic chemist. These books are just enormous lists of key references indexed by

functional group In organic chemistry, a functional group is any substituent or moiety (chemistry), moiety in a molecule that causes the molecule's characteristic chemical reactions. The same functional group will undergo the same or similar chemical reactions r ...

transformations. Importance: A reference publication.

''Stereochemistry of Carbon Compounds''

* Ernest L. Eliel *1st edition: 1962 *Current edition: renamed ''Stereochemistry of Organic Compounds'', 1994 (by Eliel and Samuel H. Wilen) Description: Systematic and complete exposition of all aspects of organic stereochemistry Importance: Standard advanced text for organic stereochemistry.

''The Conservation of Orbital Symmetry''

Robert Burns Woodward Robert Burns Woodward (April 10, 1917 – July 8, 1979) was an American organic chemist. He is considered by many to be the preeminent synthetic organic chemist of the twentieth century, having made many key contributions to the subject, esp ...

and

Roald Hoffmann Roald Hoffmann (born Roald Safran; July 18, 1937) is a Polish-American theoretical chemist who won the 1981 Nobel Prize in Chemistry. He has also published plays and poetry. He is the Frank H. T. Rhodes Professor of Humane Letters Emeritus at C ...

*Verlag Chemie Academic Press *1st edition: 1970 Description: This book summarizes a series of publications (the first in 1965) by the

Nobel Prize The Nobel Prizes ( ; ; ) are awards administered by the Nobel Foundation and granted in accordance with the principle of "for the greatest benefit to humankind". The prizes were first awarded in 1901, marking the fifth anniversary of Alfred N ...

winning authors where they describe the mechanism of a series of pericyclic reactions based upon the conservation of

orbital symmetry In chemistry, molecular symmetry describes the symmetry present in molecules and the classification of these molecules according to their symmetry. Molecular symmetry is a fundamental concept in chemistry, as it can be used to predict or explai ...

leading to what are now called the

Woodward–Hoffmann rules The Woodward–Hoffmann rules (or the pericyclic selection rules) are a set of rules devised by Robert Burns Woodward and Roald Hoffmann to rationalize or predict certain aspects of the stereochemistry and activation energy of Pericyclic reaction, ...

. Importance: The concepts outlined in this text changed the field of organic chemistry and ushered in the

frontier molecular orbital theory In chemistry, frontier molecular orbital theory is an application of molecular orbital theory describing HOMO and LUMO, HOMO–LUMO interactions. History In 1952, Kenichi Fukui published a paper in the ''Journal of Chemical Physics'' titled "A m ...

approach toward understanding reactions.

''Classics in Total Synthesis''

* K.C. Nicolaou and E.J. Sorensen *Current edition: 1996 Description. The synthesis of famous molecules. Importance. A standard postgraduate text book for the study of total synthesis and a valuable reference work for experts. "..destined to become a classic itself".

Inorganic chemistry

''Chemical Applications of Group Theory''

* F. Albert Cotton * Wiley, John & Sons, Incorporated, 1st Ed. 1963, 3rd Ed. 1990. Description: Explains the use of

symmetry group In group theory, the symmetry group of a geometric object is the group of all transformations under which the object is invariant, endowed with the group operation of composition. Such a transformation is an invertible mapping of the amb ...

s in describing

molecular symmetry In chemistry, molecular symmetry describes the symmetry present in molecules and the classification of these molecules according to their symmetry. Molecular symmetry is a fundamental concept in chemistry, as it can be used to predict or explai ...

and its role in determining molecular properties. Importance: Significant influence by introducing group theory to a much wider group of chemists.

''Advanced Inorganic Chemistry''

* F. Albert Cotton and

Geoffrey Wilkinson Sir Geoffrey Wilkinson FRS (14 July 1921 – 26 September 1996) was a Nobel laureate English chemist who pioneered inorganic chemistry and homogeneous transition metal catalysis. Education and early life Wilkinson was born at Springside, Todm ...

*Wiley, John & Sons, Incorporated, 1st Ed. 1962, 6th Ed. 1999 Description: A classic general textbook for an undergraduate course in inorganic chemistry Importance: This book is not only a good introduction to the subject, it was very different from earlier texts and "led to a fundamental shift in the way in which inorganic chemistry was studied". It seemed to be symbolic of the renaissance in inorganic chemistry starting in the 1950s. Every new text in inorganic chemistry since this text has had to respond to it.

''Inorganic and Theoretical Chemistry''

* F. Sherwood Taylor and H. M. N. H. Irving *Heinemann, 1st Ed 1931, 10th Ed. 1960 Description: Unique very advanced and comprehensive coverage of every element known at the time by chapter describing all known compounds yet discovered or synthesised. Approaches chemistry as the study of elements and compounds without the later emphasis on bond theory and analysis. Importance: Inspired and instructed generations of English speaking scientists and students.

''Chemistry of the Elements''

*N. N. Greenwood and A. Earnshaw *Heinemann (later Elsevier), 1st Ed 1984, 2nd Ed 1997 Description: Unique comprehensive descriptive coverage of all the elements and their compounds, with a strong focus on 'real life' and industrial applications. Importance: The most comprehensive one-volume text on inorganic chemistry available; a worthy successor to Taylor and Irving (see above).

Physical chemistry

''Physical Chemistry'' (Atkins and de Paula)

* P. W. Atkins * Oxford University Press, 1st Ed. 1978, 10th Ed. 2014 (with Julio de Paula from 7th Ed. 2002) Description: A classic general textbook for an undergraduate course in physical chemistry Importance: This book is not only a good introduction to the subject, it was very different from earlier texts and altered the way physical chemistry was taught. The first edition was very widely used where English is the language of instruction. Other texts had to respond to the lead from Atkins. The current edition is the 10th edition.

''Physical Chemistry'' (Berry, Rice and Ross)

* R. Stephen Berry, Stuart A. Rice, and John Ross * Oxford University Press, 1st Ed. 1980, 2nd Ed. 2000 Description: An encyclopedic text and reference suitable for advanced undergraduate or graduate study. Importance: This massive text by outstanding research workers begins with simple systems and proceeds logically to the more complex phenomena of physical chemistry. The original literature is cited extensively, making the work useful as a reference as well as a textbook. Many topics of current research are treated. Its advanced and exhaustive coverage of the field, together with extensive coverage of modern topics, eclipses the former champion, the text by E. A. Moelwyn-Hughes.

''Methods in Physical Chemistry'' (Schäfer, Schmidt)

* Rolf Schäfer, Peter C. Schmidt * Wiley‐VCH Verlag GmbH & Co. KGaA, 2012 Description: A broad overview of commonly used methods in physical chemistry and their practical aspects. Importance: This book is designed for students, supporting them in the master and doctoral theses.

Biochemistry

" A Structure for Deoxyribose Nucleic Acid"

James D. Watson James Dewey Watson (born April 6, 1928) is an American molecular biologist, geneticist, and zoologist. In 1953, he co-authored with Francis Crick the academic paper in ''Nature'' proposing the double helix structure of the DNA molecule. Wats ...

and

Francis Crick Francis Harry Compton Crick (8 June 1916 – 28 July 2004) was an English molecular biologist, biophysicist, and neuroscientist. He, James Watson, Rosalind Franklin, and Maurice Wilkins played crucial roles in deciphering the Nucleic acid doub ...

* ''Nature'' 171, 737–738 (1953) © Macmillan Publishers Ltd.
Downloadable PDF
Description: In this paper the structure of

DNA Deoxyribonucleic acid (; DNA) is a polymer composed of two polynucleotide chains that coil around each other to form a double helix. The polymer carries genetic instructions for the development, functioning, growth and reproduction of al ...

was proposed. It consisted of a double helix with a phosphate backbone, unlike

Linus Pauling Linus Carl Pauling ( ; February 28, 1901August 19, 1994) was an American chemist and peace activist. He published more than 1,200 papers and books, of which about 850 dealt with scientific topics. ''New Scientist'' called him one of the 20 gre ...

and R.B. Corey's double helix where the backbone consisted of the bases. They conclude with the sly remark: "It has not escaped our notice that the specific pairing we have postulated immediately suggests a possible copying mechanism for the genetic material." Importance: Topic creator, Breakthrough, Influence

"The Structure of the Potassium Channel: Molecular Basis of K+ Conduction and Selectivity"

* Declan A. Doyle, João Morais Cabral, Richard A. Pfuetzner, Anling Kuo, Jacqueline M. Gulbis, Steven L. Cohen, Brian T. Chait and Roderick MacKinnon * ''Science'' 280(5360), 69–77 (1998) © American Association for the Advancement of Science
Online version
Description: The structure of the potassium channel is determined by X-ray crystallography. Access to the structure provided answers to central questions in biology, regarding the movement of ions across the cell membrane. In particular, the structure revealed the mechanism with by which these channels move potassium ions both quickly and selectively, reliably preventing similarly sized sodium ions from passing through. Importance Breakthrough, Influence

Analytical chemistry

''Statistics for Experimenters: An Introduction to Design, Data Analysis, and Model Building''

* George E.P. Box, J. Stuart Hunter & William G. Hunter * John Wiley and Sons, Inc., 1st Edition 1978, 2nd Edition 2005 () Description: Starting with examples comparing two sets of experimental data, this text explains variance and the calculation of standard deviations, degrees of freedom, the null hypothesis and the "Student's"

t-Test Student's ''t''-test is a statistical test used to test whether the difference between the response of two groups is Statistical significance, statistically significant or not. It is any statistical hypothesis testing, statistical hypothesis test ...

by William J. Gosset. Further chapters discuss the importance of randomization and the analysis of variance (

ANOVA Analysis of variance (ANOVA) is a family of statistical methods used to compare the means of two or more groups by analyzing variance. Specifically, ANOVA compares the amount of variation ''between'' the group means to the amount of variation ''w ...

) using F distributions before delving into the use of statistically designed experiments including block and factorial designs. The book finishes with least squares regression analysis along with response surface and mechanistic modeling. Importance: Although almost devoid of classical chemistry, this is the definitive text for any experimentalist. This is particularly true for any chemist measuring or studying the properties or effects of chemical compounds, mixtures or other substances. Though chemical examples were few, it should be mentioned that co-author William G. Hunter, George Box's protégé, had a Bachelor's and a master's degree in Chemical Engineering with the book written in such a manner that its concepts would easily apply to chemical investigations.

Polymer chemistry

''Principles of Polymer Chemistry''

* Flory, Paul J. (1953) * Cornell University Press. 1953, . Description: Discusses structure and stereochemistry of synthetic polymers, polymerization kinetics, behaviour of polymers in solution, chain dimensions. Importance: First major text on polymer chemistry; presents both organic and physical chemistry aspects. Written by a chemist who made major contributions to the physical chemistry of polymers, for which he won the Nobel prize in 1974.

Environmental chemistry

''Aquatic Chemistry, Chemical Equilibria and Rates in Natural Waters''

* Stumm, Werner and James J. Morgan. * John Wiley and Sons, Inc., 1st Edition 1970, 3rd Edition 1996, . Description. This book covers the full spectrum of the discipline including acid/base equilibria, carbonate chemistry, mass transfer, complexation, sorption phenomenon, oxidation/reduction, colloid chemistry, and flocculation/coagulation. The authors generally present the material using a ground up approach that emphasizes fundamental principles of thermodynamics and kinetics. Importance. The publication is one of the most widely cited texts in environmental chemistry. In 1999, Stumm and Morgan received the Stockholm Water Prize for their contributions in the field. The citation specifically mentioned Aquatic Chemistry where it was described as a "seminal book" that is "used in education all over the world".

"Stratospheric sink for chlorofluoromethanes: chlorine atom-catalysed destruction of ozone"

Mario J. Molina Mario José Molina-Pasquel Henríquez (19 March 19437 October 2020) was a Mexican physical chemist. He played a pivotal role in the discovery of the Antarctic ozone hole, and was a co-recipient of the 1995 Nobel Prize in Chemistry for his rol ...

and F. S. Rowland,

Nature Nature is an inherent character or constitution, particularly of the Ecosphere (planetary), ecosphere or the universe as a whole. In this general sense nature refers to the Scientific law, laws, elements and phenomenon, phenomena of the physic ...

249, 810–812 (1974) Description: This paper warned of the danger of

ozone depletion Ozone depletion consists of two related events observed since the late 1970s: a lowered total amount of ozone in Earth, Earth's upper atmosphere, and a much larger springtime decrease in stratospheric ozone (the ozone layer) around Earth's polar ...

due to man-made

chlorofluorocarbons Chlorofluorocarbons (CFCs) and hydrochlorofluorocarbons (HCFCs) are fully or partly halogenated hydrocarbons that contain carbon (C), hydrogen (H), chlorine (Cl), and fluorine (F). They are produced as volatile derivatives of methane, ethane, ...

. The main atmospheric sink for these compounds was identified as ultraviolet

photolysis Photodissociation, photolysis, photodecomposition, or photofragmentation is a chemical reaction in which molecules of a chemical compound are broken down by absorption of light or photons. It is defined as the interaction of one or more photons wi ...

, liberating chlorine atoms which catalyze the destruction of stratospheric ozone and have the potential to significantly deplete the ozone layer. Importance: Influence, as described in the presentation speech for the Nobel Prize in Chemistry 1995: “The findings presented by this year's laureates in chemistry have had an enormous political and industrial impact. This was because they clearly identified unacceptable environmental hazards in a large, economically important sector.�

Chemical thermodynamics

"
On the Equilibrium of Heterogeneous Substances In the history of thermodynamics, "On the Equilibrium of Heterogeneous Substances" is a 300-page paper written by American chemical physicist Willard Gibbs. It is one of the founding papers in thermodynamics, along with German physicist Hermann ...
"

* Gibbs, Willard *''Trans. Conn. Acad.'', Vol. III, pp. 108–248, 1876; pp. 343–524, 1878. Description: Paper applied the thermodynamic theory of steam engines to atomic level chemical reactions; i.e., it established equilibrium criteria necessary to predict the thermodynamic tendency of chemical reactions at constant temperature and pressure. Importance: Topic creator; historian Bill Bryson states, in his '' A Short History of Nearly Everything'', that Gibbs’ ''Equilibrium'' paper is "the ''Principia'' of

thermodynamics Thermodynamics is a branch of physics that deals with heat, Work (thermodynamics), work, and temperature, and their relation to energy, entropy, and the physical properties of matter and radiation. The behavior of these quantities is governed b ...

". In addition, this paper, in many ways, functions as the mathematical foundation of

physical chemistry Physical chemistry is the study of macroscopic and microscopic phenomena in chemical systems in terms of the principles, practices, and concepts of physics such as motion, energy, force, time, thermodynamics, quantum chemistry, statistical mech ...

Electrochemistry

''Electrochemical Methods: Fundamentals and Applications''

* Allen J. Bard, Larry R. Faulkner * John Wiley and Sons, 2nd edition, 2000, Description: The defining reference for electrochemistry, coupling thousands of electroanalytical methods with the theory behind them. Importance: A reference publication.

Theoretical chemistry, quantum chemistry and computational chemistry

''Valence and the structure of atoms and molecules''

Gilbert N. Lewis Gilbert Newton Lewis (October 23 or October 25, 1875 – March 23, 1946) was an American physical chemist and a dean of the college of chemistry at University of California, Berkeley. Lewis was best known for his discovery of the covalent bon ...

* New York, The Chemical Catalog Company, Inc., 1923. Description: Discusses ionic and covalent bonding (polar and non-polar). Importance: The book that introduced the modern concept of the covalent bond as the sharing of electron pairs, and tried to reconcile the chemist's empirical view of the atom with the physicist's and spectroscopist's quantum mechanical view. It could be considered a precursor to Pauling's books.

''Introduction to Quantum Mechanics with Applications to Chemistry''

, E. Bright Wilson * New York, London, McGraw-Hill book company, 1935. Description: A classic and excellent introduction to quantum mechanics. Importance: One of the earliest books that introduced quantum mechanics to chemists. It remains well loved by many to this day.

''Valence''

* C. A Coulson *Oxford, Clarendon Press, 1952. *The latest edition is called ''Coulson's Valence'', 3rd Edition, Roy McWeeny, Oxford University Press, 1980 Description: A classic introduction to valence and the theory of chemical binding. Importance: This book is credited with causing the expansion of interest in molecular orbital theory from the 1950s.''Textbooks as Manifestos: C. A. Coulson after Linus Pauling and R. S. Mulliken'', Ana Simões
A lecture by video and transcript by a historian of science that clearly and in detail discusses the importance of Coulson's book in relation to the earlier work of Pauling and Mulliken.

''The Nature of the Chemical Bond and the Structure of Molecules and Crystals; An Introduction to Modern Structural Chemistry''

* Ithaca, N.Y., London, Cornell University Press; H. Milford, Oxford University Press, 1940. Description: A classic that was the first general book to introduce quantum mechanics to chemists. Importance: Probably more than any other book, introduced quantum mechanics and, in particular,

valence bond theory In chemistry, valence bond (VB) theory is one of the two basic theories, along with molecular orbital (MO) theory, that were developed to use the methods of quantum mechanics to explain chemical bonding. It focuses on how the atomic orbitals of ...

to experimental chemists.

''Density-Functional Theory of Atoms and Molecules''

* R. G. Parr and W. Yang, *Oxford University Press, New York, 1989. Description: A very thorough and scholarly account of

density functional theory Density functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body ...

. Importance: This is a good introduction to the subject, but has particular significance in the way it describes how the theory throws new light on old chemical concepts such as

electronegativity Electronegativity, symbolized as , is the tendency for an atom of a given chemical element to attract shared electrons (or electron density) when forming a chemical bond. An atom's electronegativity is affected by both its atomic number and the ...

'' Car–Parrinello molecular dynamics''

* Roberto Car and Michele Parrinello, *Phys. Rev. Lett. 55, 2471 (1985) Description: Unified Approach for

Molecular Dynamics Molecular dynamics (MD) is a computer simulation method for analyzing the Motion (physics), physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamics ( ...

and

Density Functional Theory Density functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body ...

. Importance: First demonstration of ab-initio molecular dynamics, where the forces are computed on-the-fly by means of quantum mechanical electronic structure calculations.

Supramolecular chemistry

''Supramolecular Chemistry – Concepts and Perspectives''

Jean-Marie Lehn Jean-Marie Lehn (born 30 September 1939) is a French chemist who received the Nobel Prize in Chemistry together with Donald Cram and Charles Pedersen in 1987 for his synthesis of cryptands. Lehn was an early innovator in the field of supramo ...

* , VCH, Description: Comprehensive textbook written by topic creator. Importance: Most-popular textbook on subject (according to Amazon.com). Lehn coined the term "supermolecule" in '73, developed the concept of supramolecular chemistry in '78, and won the Nobel Prize for his supramolecular chemistry work in ’87.

''Supramolecular Medicinal Chemistry ''

* Michael J. Zaworotko * Brian D. Moulton Description: Selected articles: "Supramolecular Medicinal Chemistry: Mixed-Ligand Coordination Complexes".Mol. Pharmaceutics, 2007, 4 (3), pp 373–385;"Pharmaceutical co-crystals".Journal of Pharmaceutical Sciences, 2006, 95 (3), pp 499–516;"Crystal engineering of pharmaceutical co-crystals from polymorphic active pharmaceutical ingredients". Chem. Commun., 2005, pp 4601 – 4603; "Recent advances of discrete coordination complexes and coordination polymers in drug delivery". Coord. Chem. Rev., 2011, 255, pp 1623–1641. Importance: Breakthrough, Influence

Medicinal chemistry

''The Practice of Medicinal Chemistry''

* Camille Georges Wermuth editor * Academic Press, 1996, * 2nd edition, Academic Press, 2003, Description: A great overview of the theory, methodology, and techniques of drug design. Importance: Introduction, Influence