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dewey-ones:"541 - Physical chemistry"
product_txtF_mv:"Springer Book Archives -2004"
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1
Supercomputer
Algorithms
for Reactivity, Dynamics and Kinetics of Small Molecules
Published 1989
Springer Netherlands
Read Now
2
Advanced Theories and Computational Approaches to the Electronic Structure of Molecules
Published 1984
Springer Netherlands
Table of Contents:
“
... Chemistry --
Algorithmic
Considerations in Large Mainframe Computers -- Participants...
”
Read Now
3
The Consistent Force Field : A Documentation
by
Niketic, S.R.
,
Rasmussen, K.
Published 1977
Springer Berlin Heidelberg
Table of Contents:
“
... Minimisation
algorithms
-- 5.3 Unified approach to gradient
algorithms
-- 5.4 Evaluation of minimisation...
”
Read Now
4
Battery Management Systems : Design by Modelling
by
Bergveld, H.J.
,
Kruijt, W.S.
,
Notten, P.H.L.
Published 2002
Springer Netherlands
Table of Contents:
“
... modelling -- 5. Battery charging
algorithms
-- 6. Battery State-of-Charge indication -- 7. Optimum supply...
”
Read Now
5
Ab Initio Variational Calculations of Molecular Vibrational-Rotational Spectra
by
Searles, Debra J.
,
Nagy-Felsobuki, Ellak I.v
Published 1993
Springer Berlin Heidelberg
Table of Contents:
“
.... Nuclear Schrödinger Formulation for Bent Triatomic Systems -- VII. Solution
Algorithm
and Integral...
”
Read Now
6
Physical Property Prediction in Organic Chemistry : Proceedings of the Beilstein Workshop, 16–20th May, 1988, Schloss Korb, Italy
Published 1988
Springer Berlin Heidelberg
“
... in the information available to the chemist. These information gaps could be filled by using
algorithmic
methods...
”
Read Now
7
Mathematical Techniques in Crystallography and Materials Science
by
Prince, Edward
Published 2004
Springer Berlin Heidelberg
Table of Contents:
“
... The Fast Fourier Transform -- The Discrete Fourier Transform -- The Good-Thomas
Algorithm
-- The Cooley...
”
Read Now
8
Mathematical Techniques in Crystallography and Materials Science
by
Prince, Edward
Published 1994
Springer Berlin Heidelberg
Table of Contents:
“
... The Fast Fourier Transform -- The Discrete Fourier Transform -- The Good-Thomas
Algorithm
-- The Cooley...
”
Read Now
9
Mathematical Models and Methods for Ab Initio Quantum Chemistry
Published 2000
Springer Berlin Heidelberg
Table of Contents:
“
...? -- SCF
algorithms
for HF electronic calculations -- A pedagogical introduction to Quantum Monte-Carlo...
”
Read Now
10
The Construction of Spin Eigenfunctions : An Exercise Book
by
Pauncz, Ruben
Published 2000
Springer US
Table of Contents:
“
... by the projected spin functions -- 7.5 Calculations of A(P) by the Rettrup-Pauncz
algorithm
-- 7.6 Correspondence...
”
Read Now
11
Kekulé Structures in Benzenoid Hydrocarbons
by
Cyvin, Sven J.
,
Gutman, Ivan
Published 1988
Springer Berlin Heidelberg
Table of Contents:
“
... Zigzag Chains -- 14.7 Pentagons -- 14.8 Oblate Rectangle -- 15 —
Algorithm
: A Generalization -- 15.1...
”
Read Now
12
Mathematical Techniques in Crystallography and Materials Science
by
Prince, E.
Published 1982
Springer New York
Table of Contents:
“
... One Parameter -- Estimates of Uncertainty When the
Algorithm
Is Not Least Squares -- 8 Significance...
”
Read Now
13
Simple Theorems, Proofs, and Derivations in Quantum Chemistry
by
Mayer, Istvan
Published 2003
Springer US
Table of Contents:
“
... products of matrices -- X. Permutations -- XI. An orthogonalization
algorithm
...
”
Read Now
14
Potential Energy Functions in Conformational Analysis
by
Rasmussen, Kjeld
Published 1985
Springer Berlin Heidelberg
Table of Contents:
“
...7 Optimisation:
Algorithms
and implementation -- 7.1 The optimisation
algorithm
-- 7.2 Termination...
”
Read Now
15
Software Development in Chemistry 4 : Proceedings of the 4th Workshop “Computers in Chemistry” Hochfilzen, Tyrol, November 22–24, 1989
Published 1990
Springer Berlin Heidelberg
Table of Contents:
“
... Searching
Algorithm
) -- The Integration of the Cambridge Crystallographic Data Files into the Relational...
”
Read Now
16
Recent Experimental and Computational Advances in Molecular Spectroscopy
Published 1993
Springer Netherlands
Table of Contents:
“
... using the convex constraint
algorithm
-- Potential energy surfaces and vibrational anharmonicity...
”
Read Now
17
High-Performance Computing
Published 1999
Springer US
Table of Contents:
“
... -- Optimisation,
Algorithms
and Software -- Performance Optimisation on the Cray T3E -- From FLOPS to UDAPS...
”
Read Now
18
Numerical Determination of the Electronic Structure of Atoms, Diatomic and Polyatomic Molecules
Published 1989
Springer Netherlands
Table of Contents:
“
... Systems with Numerical Orbitals -- The Development of an Efficient Numerical Orbital
Algorithm
...
”
Read Now
19
Software Development in Chemistry 5 : Proceedings of the 5th Workshop “Computers in Chemistry Oldenburg, November 21–23, 1990
Published 1991
Springer Berlin Heidelberg
Table of Contents:
“
... -- MULTIVAR, PLANEX, INTERLAB — From a Collection of
Algorithms
to an Expert System: Statistics Software...
”
Read Now
20
Density Functional Methods in Chemistry
Published 1991
Springer New York
Table of Contents:
“
... on Metathesis Reaction Precursors -- 18. An
Algorithm
in Direct Space for the Local Electronic Structure...
”
1
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Collection: Springer Book Archives -2004
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541 - Physical chemistry
Language
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35
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Springer Book Archives -2004
Author
Cyvin, Sven J.
2
Defranceschi, M.
2
Gutman, Ivan
2
Pisani, Cesare
2
Prince, Edward
2
Wilson, Stephen
2
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Allan, R.J.
1
Andzelm, Jan W.
1
Bergveld, H.J.
1
Bernstein, Richard Barry
1
Britz, Dieter
1
Daudel, R.
1
Deconinck, Johan
1
Delhalle, J.
1
Derouane, E.G.
1
Dovesi, Roberto
1
Dykstra, C.E.
1
Erdahl, R.M.
1
Fausto, Rui
1
Friedman, Avner
1
Gasteiger, Johann
1
Gmehling, Jürgen
1
Griffiths, P.
1
Guest, M.F.
1
Henty, D.S.
1
Hicks, Martin
1
Jochum, Clemens
1
Kaldor, U.
1
Koca, Jaroslav
1
Kratochvil, Milan
1
Kruijt, W.S.
1
Kvasnicka, Vladimir
1
Labanowski, Jan K.
1
Laganà, Antonio
1
Le Bris, C.
1
Lemos, Francisco
1
Matyska, Ludek
1
Mayer, Istvan
1
Nagy-Felsobuki, Ellak I.v
1
Niketic, S.R.
1
Notten, P.H.L.
1
Parmon, Valentin
1
Pauncz, Ruben
1
Prince, E.
1
Ramôa Ribeiro, Fernando
1
Rasmussen, K.
1
Rasmussen, Kjeld
1
Roetti, Carla
1
Searles, Debra J.
1
Simpson, A.D.
1
Smith Jr., Vedene H.
1
Sunkel, Josef
1
Tsoucaris, Georges
1
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