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dewey-ones:"547 - Organic chemistry"
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theory computational »
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1
Advances in the
Theory
of Benzenoid Hydrocarbons
Published 1990
Springer Berlin Heidelberg
Table of Contents:
“
... -- Clar's aromatic sextet and sextet polynomial -- Caterpillar (Gutman) trees in chemical graph
theory
...
”
Read Now
2
Advances in the
Theory
of Benzenoid Hydrocarbons II
Published 1992
Springer Berlin Heidelberg
Subjects:
“
...
Computational
intelligence...
”
Read Now
3
Density Functional
Theory
I : Functionals and Effective Potentials
Published 1996
Springer Berlin Heidelberg
Table of Contents:
“
...: Gradient expansions and beyond -- Exchange and correlation in density functional
theory
of atoms...
”
Read Now
4
Theory
of Organic Reactions
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
...
”
Read Now
5
The equilibrium
theory
of inhomogeneous polymers
by
Fredrickson, Glenn Harold
Published 2006
Clarendon
“
...This work provides a pedagogical introduction to the theoretical and
computer
simulation techniques...
”
Call Number:
QD381.9.M3
Read Now
6
Modeling Marvels : Computational Anticipation of Novel Molecules
by
Lewars, Errol G.
Published 2008
Springer Netherlands
Subjects:
“
...
Computer
simulation...
”
Read Now
7
Computational
Advances in Organic Chemistry: Molecular Structure and Reactivity
Published 1991
Springer Netherlands
Table of Contents:
“
...Some Fundamentals of Molecular Orbital
Computations
-- Do You Have SCF Stability and Convergence...
”
Read Now
8
Physics and Chemistry of Metal Cluster Compounds : Model Systems for Small Metal Particles
Published 1994
Springer Netherlands
Table of Contents:
“
.... Chemical properties -- 3.4. Catalysis -- 3.5. Outlook -- References -- 4.
Theory
of Electronic Properties...
”
Read Now
9
Mathematical Concepts in Organic Chemistry
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
...
”
Read Now
10
Radiation Induced Molecular Phenomena in Nucleic Acids : A Comprehensive Theoretical and Experimental Analysis
Published 2008
Springer Netherlands
Table of Contents:
“
... of Pyrimidine Bases: From Gas Phase to Solution -- Isolated DNA Base Pairs, Interplay Between
Theory
...
”
Read Now
11
Molecular Science of Fluctuations Toward Biological Functions
Published 2016
Springer Japan
Table of Contents:
“
... of staphylococcal nuclease --
Theory
of molecular recognition and structural fluctuation of biomolecules...
”
Read Now
12
Information Technology in the Service Economy : Challenges and Possibilities for the 21st Century
Published 2008
Springer US
Subjects:
“
...
Computer
science...
”
Read Now
13
The Chemist’s Electronic Book of Orbitals
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...
”
Read Now
14
Polynuclear aromatic compounds
Published 1987
American Chemical Society
Subjects:
“
...Quantum
Theory
...
”
Call Number:
QD335
Read Now
15
Microstructure and microtribology of polymer surfaces
Published 1999
American Chemical Society
Subjects:
“
...Self-consistent field
theory
/ Utilization...
”
Call Number:
QD381.9.S97
Read Now
16
New Directions in the Modeling of Organometallic Reactions
Published 2020
Springer International Publishing
Table of Contents:
“
...What Makes a Good (
Computed
) Energy Profile?- Mechanisms of Metal-Catalyzed Electrophilic F/CF3/SCF...
”
Read Now
17
Organometallic Bonding and Reactivity : Fundamental Studies
Published 1999
Springer Berlin Heidelberg
Table of Contents:
“
... Assessment of Density Functional
Theory
with Regard to Applications in Organometallic Chemistry -- Hybrid...
”
Read Now
18
Advanced Organic Chemistry : Part A: Structure and Mechanisms
by
Carey, Francis A.
,
Sundberg, Richard J.
Published 1990
Springer US
Read Now
19
Advanced Organic Chemistry : Part A: Structure and Mechanisms
by
Carey, Francis A.
,
Sundberg, Richard J.
Published 2007
Springer US
Read Now
20
Topological Polymer Chemistry : Concepts and Practices
Published 2022
Springer Nature Singapore
Table of Contents:
“
... -- 2. Classification and notation by graph
theory
-- 3. Statistic physics and
computational
analyses...
”
1
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Classification: 547 - Organic chemistry
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547 - Organic chemistry
620 - Engineering & allied operations
1
Language
English
31
Collection
Springer Book Archives -2004
19
Springer eBooks 2005-
9
ACS Advances in Chemistry
1
ACS Symposium Series
1
Oxford University Press
1
Author
Gutman, Ivan
3
Carey, Francis A.
2
Sundberg, Richard J.
2
American Chemical Society Division of Petroleum Chemistry
1
American Chemical Society Division of Polymer Chemistry
1
American Chemical Society Meeting ( 1986, Anaheim, California)
1
more ...
American Chemical Society Meeting ( 1998, Boston, Massachusetts)
1
Barrett, Michael
1
Blechert, Siegfried
1
Brown, J.M.
1
Clark, Timothy
1
Csizmadia, Imre G.
1
Cyvin, Sven J.
1
Davidson, Elizabeth
1
DeGross, Janice I.
1
Dean, P.M.
1
Deguchi, Tetsuo
1
Ebert, Lawrence B.
1
Epiotis, N. D.
1
Fabbrizzi, Luigi
1
Fredrickson, Glenn Harold
1
Gettins, W.J.
1
Gupta, Neelima
1
Gupta, Varsha
1
Hinze, Jürgen
1
Hofmann, P.
1
Inman, Douglas
1
Kataoka, Mikio
1
Koch, Rainer B.
1
Kubota, Koji
1
Leszczynski, Jerzy
1
Lewars, Errol G.
1
Lledós, Agustí
1
Lovering, David G.
1
Middleton, Catherine
1
Nalewajski, R.F.
1
Okamoto, Yuko
1
Poggi, Antonio
1
Polansky, Oskar E.
1
Prasad, Paras N.
1
Russo, N.
1
Salahub, Dennis R.
1
Shukla, Manoj
1
SpringerLink (Online service)
1
Terazima, Mazahide
1
Tezuka, Yasuyuki
1
T͡Sukruk, V. V.
1
Ueoka, Ryuichi
1
Ujaque, Gregori
1
Ulrich, D.R.
1
Wahl, Kathryn J.
1
Wyn-Jones, E.
1
de Jongh, L.J.
1
de Meijere, Armin
1
Ögretir, Cemil
1
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