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dewey-ones:"542 - Techniques, equipment & materials"
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1
Computational Chemistry : Introduction to the Theory and Applications of Molecular and Quantum Mechanics
by
Lewars, Errol G.
Published 2003
Springer US
Table of Contents:
“
... Surface -- Molecular
Mechanics
-- to Quantum
Mechanics
in Computational Chemistry -- Ab initio...
”
Read Now
2
Consequences of Combinatorial Studies of Positive Electrodes for Li-ion Batteries
by
McCalla, Eric
Published 2014
Springer International Publishing
Subjects:
“
...
Mechanical
and Thermal Energy Storage...
”
Read Now
3
Minicomputers and large scale computations : a symposium sponsored by the ACS Division of Computers in Chemistry at the Second Joint Conference of the Chemical Institute of Canada...
Published 1977
American Chemical Society
Subjects:
“
...Fluid
mechanics
/ Analysis...
”
Call Number:
QD39.3.E46
Read Now
4
Chemometrics : theory and application : a symposium
Published 1977
American Chemical Society
Subjects:
“
...Reaction
mechanisms
(Chemistry)...
”
Call Number:
QD39.3.E46
Read Now
5
Photophysics and Photochemistry of a BODIPY‐Based Photosensitizer : Quantumchemical Simulations
by
Ziems, Karl Michael
Published 2019
Springer Fachmedien Wiesbaden
Table of Contents:
“
...
Mechanism
-- Results for Chemical Reduction
Mechanism
...
”
Read Now
6
Polarizable Embedding for the Algebraic-Diagrammatic Construction Scheme : Investigating Photoexcitations in Large Biomolecular Systems
by
Scheurer, Maximilian
Published 2020
Springer Fachmedien Wiesbaden
Table of Contents:
“
... Approach and Benchmark -- Case Study of a Flavoprotein Quenching
Mechanism
...
”
Read Now
7
Computer Simulation of Polymeric Materials : Applications of the OCTA System
Published 2016
Springer Nature Singapore
Table of Contents:
“
... -- Improvement of Adhesive Properties utilizing Segregation of Oligomers and Investigation of Its
Mechanism
...
”
Read Now
8
Supercomputer and Chemistry 2 : debis Workshop 1990 Ottobrunn, November 19–20, 1990
Published 1991
Springer Berlin Heidelberg
Table of Contents:
“
...: An Off-Lattice Monte Carlo Method -- Quantum
Mechanical
Calculations of Small Molecules -- Parallel...
”
Read Now
9
Chemistry by Computer : An Overview of the Applications of Computers in Chemistry
by
Wilson, Stephen
Published 1986
Springer US
Table of Contents:
“
.... Methods -- 4. Quantum Chemistry -- 5. Molecular
Mechanics
-- 6. Chemical Reactions -- 7. Simulation...
”
Read Now
10
Methods in Computational Chemistry : Volume 2 Relativistic Effects in Atoms and Molecules
Published 1988
Springer US
Table of Contents:
“
.... Relativistic Molecular Quantum
Mechanics
-- 3. Relativistic Independent Electron Models -- 4. Electron...
”
Read Now
11
Atomic Switch : From Invention to Practical Use and Future Prospects
Published 2020
Springer International Publishing
Table of Contents:
“
... the Atomic Switch -- Atomistic Simulations for Understanding Microscopic
Mechanism
of Resistive Switches...
”
Read Now
12
Supercomputer Applications
by
Numrich, Robert W.
Published 1985
Springer US
Table of Contents:
“
... Element Methods -- Computational Physics and Chemistry -- Large-Scale Quantum
Mechanical
Scattering...
”
Read Now
13
Advances in Computational Toxicology : Methodologies and Applications in Regulatory Science
Published 2019
Springer International Publishing
Table of Contents:
“
... from Molecular Simulations -- Applications of Molecular Modeling to Probe the
Mechanism
of Endocrine...
”
Read Now
14
3D QSAR in Drug Design : Ligand-Protein Interactions and Molecular Similarity
Published 1998
Springer Netherlands
Table of Contents:
“
... -- Molecular
Mechanics
Calculations on Protein-Ligand Complexes -- Quantum Chemical Models and Molecular...
”
Read Now
15
Supercomputer Simulations in Chemistry : Proceedings of the Symposium on Supercomputer Simulations in Chemistry, held in Montreal August 25–27, 1985, sponsored by IBM-Kingston and...
Published 1986
Springer Berlin Heidelberg
“
... in this volume discuss topics in quantum
mechanical
and statis tical
mechanical
simulations, both of which test...
”
Read Now
16
Computational Approaches in Supramolecular Chemistry
Published 1994
Springer Netherlands
Table of Contents:
“
... active Iron(III carriers -- 24 A simple approach to modelling supramolecular complexes and
mechanically
...
”
Read Now
17
Structural Bioinformatics: Applications in Preclinical Drug Discovery Process
Published 2019
Springer International Publishing
“
... active novel molecular entities. It presents a clear concept of the molecular
mechanism
of different drug...
”
Read Now
18
Guide to Biomolecular Simulations
by
Becker, Oren M.
,
Karplus, Martin
Published 2006
Springer Netherlands
“
..., the study of enzyme
mechanisms
, the estimation of ligand-binding free energies, the evaluation of the role...
”
Read Now
19
Support vector machines and their application in chemistry and biotechnology
by
Liang, Yizeng
Published 2011
CRC Press
“
... description of the
mechanism
of SVMs from the point of view of chemists/biologists and hence to make it easy...
”
Call Number:
Q325.5
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Classification: 542 - Techniques, equipment & materials
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542 - Techniques, equipment & materials
620 - Engineering & allied operations
1
Language
English
19
Collection
Springer Book Archives -2004
8
Springer eBooks 2005-
8
ACS Symposium Series
2
O'Reilly
1
Author
American Chemical Society Division of Computers in Chemistry
2
Wilson, Stephen
2
Aono, Masakazu
1
Becker, Oren M.
1
Chemical Innovation, Japan Association for
1
Chemical Institute of Canada
1
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Dupuis, Michel
1
Folkers, Gerd
1
Harms, Uwe
1
Hong, Huixiao
1
Joint Conference of the Chemical Institute of Canada and the American Chemical Society ( 1977, Montreal, Canada)
1
Karplus, Martin
1
Kowalski, Bruce R.
1
Kubinyi, Hugo
1
Lewars, Errol G.
1
Liang, Yizeng
1
Lykos, Peter
1
Martin, Yvonne C.
1
McCalla, Eric
1
Mohan, C. Gopi
1
Numrich, Robert W.
1
Scheurer, Maximilian
1
Wipff, G.
1
Ziems, Karl Michael
1
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