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published a treatise titled "The
Principles of Mathematical Chemistry: The Energetics of Chemical Phenomena" in 1894. Some of the more contemporary periodical publications specializing in the field are MATCH Communications in Mathematical and in Computer Chemistry, first published in 1975, and the
622: – final result of a logic and mathematical procedure which transforms chemical information encoded within a symbolic representation of a molecule into a useful number or the result of some standardized experiment; concept from cheminformatics
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Restrepo, G. Mathematical chemistry, a new discipline. In Essays in the philosophy of chemistry, Scerri, E.; Fisher, G., Eds.; Oxford
University Press: New York, UK, 2016; Chapter 15, 332-351.
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Topological approach to the chemistry of conjugated molecules, by A. Graovac, I. Gutman, and N. Trinajstic, Lecture Notes in
Chemistry, no.4, Springer-Verlag, Berlin, 1977.
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Helm, Georg. The
Principles of Mathematical Chemistry: The Energetics of Chemical Phenomena. translated by J. Livingston R. Morgan. New York: John Wiley & Sons, 1897.
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Advances in
Mathematical Chemistry and Applications. Volume 2. Basak S. C., Restrepo G., Villaveces J. L. (Bentham Science eBooks, 2015)
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Journal of
Mathematical Chemistry, first published in 1987. In 1986 a series of annual conferences MATH/CHEM/COMP taking place in
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Mathematical
Chemistry Series, by D. Bonchev, D. H. Rouvray (Eds.), Gordon and Breach Science Publisher, Amsterdam, 2000.
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A. T. Balaban, Reflections about
Mathematical Chemistry, Foundations of Chemistry, 7(2005), pp. 289–306.
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Concepts in Organic Chemistry, by I. Gutman, O. E. Polansky, Springer-Verlag, Berlin, 1986.
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Descriptors for Chemoinformatics, by R. Todeschini and V. Consonni, Wiley-VCH, Weinheim, 2009.
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N. Trinajstić, I. Gutman, Mathematical Chemistry, Croatica Chemica Acta, 75(2002), pp. 329–356.
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of chemical phenomena. Mathematical chemistry has also sometimes been called
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Chemical Graph Theory, by N. Trinajstic, CRC Press, Boca Raton, 1992.
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The history of the approach may be traced back to the 19th century.
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MATCH Communications in Mathematical and in Computer Chemistry
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List of quantum chemistry and solid state physics software
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Major areas of research in mathematical chemistry include
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is the area of research engaged in novel applications of
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Study of chemical phenomena using mathematical models
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Pages displaying wikidata descriptions as a fallback
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1934:Clinical chemistry
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2174:Stoichiometry
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2130:Nanochemistry
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2127:
2122:
2119:
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2113:
2112:
2109:
2107:
2104:
2100:
2097:
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2092:
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2090:
2087:
2086:
2081:
2078:
2077:
2076:
2073:
2069:
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2020:
2018:
2015:
2014:
2013:
2010:
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1997:
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1985:
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1966:
1960:
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1937:
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1932:
1928:
1925:
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1911:
1908:
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1886:
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1876:
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1855:Semisynthesis
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1689:Sonochemistry
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1684:Cryochemistry
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1677:Micromeritics
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1555:Wet chemistry
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1351:
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1234:
1232:
1231:Computational
1228:
1220:
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1197:
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1129:
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1109:
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1100:
1094:
1091:
1089:
1086:
1084:
1081:
1079:
1076:
1075:
1073:
1071:
1070:Number theory
1067:
1061:
1058:
1056:
1053:
1051:
1048:
1046:
1043:
1041:
1038:
1036:
1033:
1031:
1028:
1027:
1025:
1023:
1019:
1013:
1010:
1008:
1005:
1003:
1002:Combinatorics
1000:
999:
997:
995:
991:
985:
982:
980:
977:
975:
972:
970:
967:
965:
962:
960:
957:
955:
954:Real analysis
952:
950:
947:
946:
944:
942:
938:
932:
929:
927:
924:
922:
919:
917:
914:
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907:
904:
902:
899:
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893:
891:
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879:
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869:
866:
864:
861:
859:
856:
854:
851:
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848:
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842:
836:
833:
831:
828:
824:
821:
819:
816:
815:
814:
811:
810:
807:
802:
794:
789:
787:
782:
780:
775:
774:
771:
765:
762:
760:
757:
755:
752:
751:
743:
740:
737:
734:
731:
730:
719:
714:
707:
706:
701:
696:
690:
685:
681:
670:
667:
664:
661:
658:
655:
654:
646:
643:
641:
638:
636:
633:
630:
627:
621:
618:
615:
612:
609:
606:
603:
600:
599:
593:
591:
587:
582:
580:
576:
572:
567:
565:
561:
556:
551:
549:
545:
541:
537:
533:
529:
525:
521:
517:
512:
510:
506:
502:
498:
494:
490:
479:
474:
472:
467:
465:
460:
459:
457:
456:
450:
440:
437:
426:
425:
424:
423:
416:
413:
411:
408:
406:
403:
400:
396:
393:
392:
386:
385:
378:
375:
373:
370:
368:
365:
363:
360:
358:
355:
354:
348:
347:
340:
337:
335:
332:
330:
327:
325:
322:
320:
317:
315:
312:
310:
307:
305:
302:
300:
297:
296:
290:
289:
282:
278:
275:
274:
269:
266:
264:
261:
259:
256:
255:
253:
252:
248:
243:
239:
238:
235:
232:
231:
227:
226:
216:
211:
209:
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202:
197:
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193:
190:
186:
182:
181:
170:
167:
165:
162:
160:
157:
155:
152:
150:
147:
145:
142:
140:
137:
135:
132:
130:
127:
126:
120:
119:
112:
108:
105:
103:
100:
98:
94:
91:
89:
86:
84:
80:
77:
75:
72:
70:
67:
65:
64:Number theory
62:
61:
58:
53:
52:
49:
48:
43:
40:
38:
35:
34:
33:
32:
29:
26:
25:
21:
20:
2348:
2336:
2324:
2312:
2162:Biosynthesis
2012:Geochemistry
1927:Pharmacology
1903:Cell biology
1893:Biochemistry
1721:Spectroscopy
1620:VSEPR theory
1592:
1469:Spectroscopy
1413:Branches of
1369:
1357:
1345:
1326:
1259:Optimization
1158:
1121:Differential
1045:Differential
1012:Order theory
1007:Graph theory
911:Group theory
713:
703:
695:
684:
651:Bibliography
590:Milan Randić
584:In 2005 the
583:
568:
564:Ante Graovac
552:
536:group theory
513:
504:
488:
487:
362:Biochemistry
339:Chemical law
246:
133:
2350:WikiProject
1575:Theoretical
1560:Calorimetry
1371:WikiProject
1214:Game theory
1194:Probability
931:Homological
921:Multilinear
901:Commutative
878:Type theory
845:Foundations
801:mathematics
705:SIAM Review
493:mathematics
154:Linguistics
144:Computation
139:Geosciences
102:Probability
28:Mathematics
2366:Categories
2186:Metallurgy
1885:Biological
1451:Analytical
1199:Statistics
1078:Arithmetic
1040:Arithmetic
906:Elementary
873:Set theory
727:References
569:The basic
555:Georg Helm
164:Philosophy
107:Statistics
97:Set theory
2377:Chemistry
2248:Catalysis
1756:Inorganic
1550:Titration
1415:chemistry
1126:Geometric
1116:Algebraic
1055:Euclidean
1030:Algebraic
926:Universal
560:Dubrovnik
524:isomerism
497:chemistry
234:Chemistry
169:Education
159:Economics
134:Chemistry
2314:Category
2270:Molecule
2207:See also
1632:Physical
1347:Category
1103:Topology
1050:Discrete
1035:Analytic
1022:Geometry
994:Discrete
949:Calculus
941:Analysis
896:Abstract
835:Glossary
818:Timeline
700:A review
596:See also
520:topology
449:Category
389:Research
351:Branches
281:timeline
268:Glossary
83:Analysis
79:Calculus
69:Geometry
2326:Commons
2290:Alchemy
1806:Organic
1359:Commons
1141:Applied
1111:General
888:Algebra
813:History
395:Chemist
277:History
263:Outline
149:Biology
129:Physics
74:Algebra
37:History
2338:Portal
1484:UV-Vis
1060:Finite
916:Linear
823:Future
799:Major
571:models
447:
299:Matter
1511:MALDI
1479:Raman
1287:lists
830:Lists
803:areas
676:Notes
329:Redox
304:Phase
258:Index
93:Logic
57:Areas
42:Index
2265:Atom
1533:HPLC
577:and
542:and
399:list
309:Bond
109:and
95:and
81:and
2275:Ion
1506:ICP
1489:NMR
495:to
319:Ion
2368::
2005:/
2001:/
1853:/
1528:GC
1501:EI
1474:IR
581:.
566:.
511:.
2239:"
2235:"
1406:e
1399:t
1392:v
792:e
785:t
778:v
477:e
470:t
463:v
401:)
397:(
283:)
279:(
214:e
207:t
200:v
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