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1
Published 1990
Springer Berlin Heidelberg
Table of Contents: “... -- Clar's aromatic sextet and sextet polynomial -- Caterpillar (Gutman) trees in chemical graph theory...”
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2
Published 1992
Springer Berlin Heidelberg
Subjects: “...Computational intelligence...”
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3
Published 1996
Springer Berlin Heidelberg
Table of Contents: “...: Gradient expansions and beyond -- Exchange and correlation in density functional theory of atoms...”
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4
by Epiotis, N. D.
Published 1978
Springer Berlin Heidelberg
Table of Contents: “...1. One-Determinental Theory of Chemical Reactivity -- 1.1 General Principles and Computational...”
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5
by Fredrickson, Glenn Harold
Published 2006
Clarendon
“...This work provides a pedagogical introduction to the theoretical and computer simulation techniques...”
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6
by Lewars, Errol G.
Published 2008
Springer Netherlands
Subjects: “...Computer simulation...”
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7
Published 1991
Springer Netherlands
Table of Contents: “...Some Fundamentals of Molecular Orbital Computations -- Do You Have SCF Stability and Convergence...”
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8
Published 1994
Springer Netherlands
Table of Contents: “.... Chemical properties -- 3.4. Catalysis -- 3.5. Outlook -- References -- 4. Theory of Electronic Properties...”
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9
by Gutman, Ivan, Polansky, Oskar E.
Published 1986
Springer Berlin Heidelberg
Table of Contents: “... Chemistry and Graph Theory -- 3 Chemical Graphs -- 4 Fundamentals of Graph Theory -- 5 Graph Theory...”
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10
Published 2008
Springer Netherlands
Table of Contents: “... of Pyrimidine Bases: From Gas Phase to Solution -- Isolated DNA Base Pairs, Interplay Between Theory...”
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11
Published 2016
Springer Japan
Table of Contents: “... of staphylococcal nuclease -- Theory of molecular recognition and structural fluctuation of biomolecules...”
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12
Published 2008
Springer US
Subjects: “...Computer science...”
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13
by Clark, Timothy, Koch, Rainer B.
Published 1999
Springer Berlin Heidelberg
Table of Contents: “... Base Interactions; Selectivity; Frontier MO Theory; The Woodward-Hoffmann Rules -- Elementary Symmetry...”
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14
Published 1987
American Chemical Society
Subjects: “...Quantum Theory...”
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15
Published 1999
American Chemical Society
Subjects: “...Self-consistent field theory / Utilization...”
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16
Published 2020
Springer International Publishing
Table of Contents: “...What Makes a Good (Computed) Energy Profile?- Mechanisms of Metal-Catalyzed Electrophilic F/CF3/SCF...”
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17
Published 1999
Springer Berlin Heidelberg
Table of Contents: “... Assessment of Density Functional Theory with Regard to Applications in Organometallic Chemistry -- Hybrid...”
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20
Published 2022
Springer Nature Singapore
Table of Contents: “... -- 2. Classification and notation by graph theory -- 3. Statistic physics and computational analyses...”