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· 분류 : 외국도서 > 과학/수학/생태 > 수학 > 응용수학
· ISBN : 9780367862268
· 쪽수 : 472쪽
· 출판일 : 2021-03-31
목차
IntroductionProblems of AntiquityFamous ProblemsIllustrious ProblemsHilbert ProblemsP versus NPOn Unsolved ProblemsReferences and NotesMathematical ChemistryDiscrete Mathematics and ChemistryPartial OrderEnumeration of Kekule Valence StructuresGraph TheoryChemical NomenclatureMolecular DescriptorsCanonical Labeling of VerticesCounting of PathsExperimental MathematicsReferences and NotesGraph Theory and ChemistryUnfamiliarity with Graph TheoryOn HMO, the Huckel Molecular Orbital TheoryThe Story of Isospectral GraphsThe Difference in HMO and PPP Bond OrdersGraphene EdgeReferences and NotesCharacteristic PolynomialOn Characteristic PolynomialOn Construction of the Characteristic PolynomialFermat’s Last TheoremCommon EigenvaluesChemical MathematicsRevisiting the Characteristic PolynomialOn Factoring of Characteristic PolynomialSymmetric Function and Newton IdentitiesSummaryReferences and NotesStructure?ActivityTwo CulturesQualitative Regression AnalysisQSAR versus "QSAR"On Quantitative Characterization of Molecular StructureThe Criticism That Is NotHighly Collinear Descriptors: The Problem That Is NotThe Single Equation FallacyReferences and NotesMolecular DescriptorsStructure DescriptorsThe Connectivity IndexTopological IndicesComplex Biomolecular Networks and the Connectivity Index 1χ Joseph BoscovicDesiderata for Molecular DescriptorsHigher-Order Connectivity IndicesMolecular ID NumbersRecent Modification of the Higher-Order Connectivity IndicesVariations of the Connectivity IndexOn Characterization of Hetero-AtomsThe Variable Connectivity IndexSurprise, SurpriseThe Structure?Structure SpaceReferences and NotesPartial OrderingSearching for Regularities in Structure?Property DataOn Characterization of Molecular StructuresPartial Ordering13C Chemical Shifts Sums in AlkanesStudy of Proteome Maps Using Partial OrderingReferences and NotesNovel Molecular MatricesNovel Molecular DescriptorsNovel Matrices in ChemistryGeneralized Distance MatricesRing Closure MatrixSpanning TreesCanonical Labels for GraphsCanonical Labels for AdamantaneWalk Above Code for Polycyclic GraphsRing Closure Matrix of AdamantaneReferences and NotesOn Highly Similar MoleculesSearch for Structurally Similar MoleculesMolecular Descriptors for Screening Combinatorial LibrariesGeneralized Connectivity IndicesConnectivity Index χ(HD)References and NotesAromaticity RevisitedConjugated CircuitsResonance EnergiesIn Search of a Generalized Huckel 4n + 2 RuleOn Classification of Polycyclic Conjugated CompoundsReferences and NotesClar Aromatic SextetIntroductionQualitative Clar Aromatic Sextet TheoryClar Aromatic Sextet RevisitedPauling Bond OrdersRing Bond OrdersQuantitative Aromatic Sextet TheoryResonance GraphsReferences and NotesRenormalization in ChemistryContinuum versus Discrete ModelsRing Currents via the Conjugated Circuits ModelNormalization of Ring CurrentsRenormalization of Ring CurrentsConcluding RemarksAnecdotesPlagiarism That Is NotReferences and NotesGraphical BioinformaticsCharacterization versus IndexingMilestones of Graphical BioinformaticsSpectral Representation of DNAFour-Color 2-D Maps of DNASimilarities and Dissimilarities among the DNA SequencesIs a Four-Color DNA Map a Useful Novelty?Amino Acid Adjacency MatrixDecagonal Isometric MatrixOn the Sequence Alignment ProblemAmino Acid Sequential MatrixComputer Program for the Exact Solution of the Protein Alignment ProblemReferences and NotesBeauties and Sleeping Beauties in ScienceSleeping Beauties RevisitedOn Beauty in ScienceFive Sleeping BeautiesAromaticity and Conjugation4n + 2 and 4n Rule for Polycyclic Conjugated SystemsOrthogonal Molecular DescriptorsVariable Connectivity IndexProteome Maps: Order or Chaos?Graphical Alignment of ProteinsSleeping GiantsSummaryApologyAcknowledgmentsReferences and NotesAppendix 1: Early Hostility toward Chemical Graph TheoryAppendix 2: Editorial Alert to Reviewers on Graph Theoretical ManuscriptsAppendix 3: Letter Relating to the Calculation of the Symmetry of a GraphAppendix 4: On Detection of the Illegal Deck of Cards for Graph ReconstructionAppendix 5: Solution to Halmos Handshake ProblemAppendix 6: The First Page of the Book of EuclidAppendix 7: Full Quote of Immanuel KantAppendix 8: Construction of Canonical Labels for DiamantaneAppendix 9: Twelve Different Canonical Labelings of DiamantaneAppendix 10: The Eigenvalues and Eigenvectors of HexatrieneAppendix 11: The Coefficients of All Antisymmetrical Molecular Orbitals of the Tetracene Derivative C20H14Appendix 12: Halogen Compounds and Their Boiling PointsAppendix 13: "News and Views" on Chemical Topology from Nature, November 15, 1974Appendix 14: Conjugated Circuits for the Remaining Five Symmetry Nonequivalent Kekule Valence Structures of CoroneneAppendix 15: Hostile Reports of Anonymous Referees on Novelty in Graphical BioinformaticsAppendix 16: The Computer Program for Exact Pairwise Protein AlignmentAppendix 17: An Input and Output of the Program VESPAAppendix 18: List of Problems of Structural Chemistry Presented in This BookAppendix 19: Rigorous Definitions and Descriptions of a Selection of Mathematical Concepts of Discrete Mathematics