Search Results for Theoretical and Computational Chemistry.

Relativistic electronic structure theory

2024-11-12T10:13:31Z

Author Schwerdtfeger, Peter.
Preferred Shelf Number ONLINE
Electronic Access ScienceDirect http://www.sciencedirect.com/science/book/9780444512499
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Nanomaterials design and simulation

2024-11-12T10:13:31Z

Author Balbuena, Perla B. Seminario, J. M.
Preferred Shelf Number ONLINE
Electronic Access ScienceDirect http://www.sciencedirect.com/science/book/9780444528261
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Theoretical aspects of chemical reactivity

2024-11-12T10:13:31Z

Author Toro-Labbé, Alejandro.
Preferred Shelf Number ONLINE
Electronic Access ScienceDirect http://www.sciencedirect.com/science/book/9780444527196
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Molecular and nano electronics analysis, design and simulation

2024-11-12T10:13:31Z

Author Seminario, J. M.
Preferred Shelf Number ONLINE
Electronic Access ScienceDirect http://www.sciencedirect.com/science/book/9780444527257
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Computational photochemistry

2024-11-12T10:13:31Z

Author Olivucci, M. (Massimo)
Preferred Shelf Number ONLINE
Electronic Access ScienceDirect http://www.sciencedirect.com/science/book/9780444521101
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Computational materials science

2024-11-12T10:13:31Z

Author Leszczynski, Jerzy, 1949-
Preferred Shelf Number ONLINE
Electronic Access ScienceDirect http://www.sciencedirect.com/science/book/9780444513007
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Energetic materials. Part 1, Decomposition, crystal and molecular properties

2024-11-12T10:13:31Z

Author Politzer, Peter, 1937- Murray, J. S. (Jane S.)
Preferred Shelf Number ONLINE
Electronic Access ScienceDirect http://www.sciencedirect.com/science/book/9780444515186
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Valence bond theory

2024-11-12T10:13:31Z

Author Cooper, D. L.
Preferred Shelf Number ONLINE
Electronic Access ScienceDirect http://www.sciencedirect.com/science/book/9780444508898
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Theoretical biochemistry processes and proterties of biological systems

2024-11-12T10:13:31Z

Preferred Shelf Number ONLINE
Electronic Access ScienceDirect http://www.sciencedirect.com/science/book/9780444502926
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Molecular dynamics from classical to quantum methods

2024-11-12T10:13:31Z

Author Balbuena, Perla B. Seminario, J. M.
Preferred Shelf Number ONLINE
Electronic Access ScienceDirect http://www.sciencedirect.com/science/book/9780444829108
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Computational molecular biology

2024-11-12T10:13:31Z

Author Leszczynski, Jerzy, 1949-
Preferred Shelf Number ONLINE
Electronic Access ScienceDirect http://www.sciencedirect.com/science/book/9780444500304
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Theoretical organic chemistry

2024-11-12T10:13:31Z

Author Párkányi, Cyril.
Preferred Shelf Number QD476 .T427 1998 V.5
Format: Books
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Theoretical organic chemistry

2024-11-12T10:13:31Z

Author Párkányi, Cyril.
Preferred Shelf Number ONLINE
Electronic Access ScienceDirect http://www.sciencedirect.com/science/book/9780444826602
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Recent developments and applications of modern density functional theory

2024-11-12T10:13:31Z

Author Seminario, J. M.
Preferred Shelf Number QD462.6.D45 R44 1996
Format: Books
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Recent developments and applications of modern density functional theory

2024-11-12T10:13:31Z

Author Seminario, J. M.
Preferred Shelf Number ONLINE
Electronic Access ScienceDirect http://www.sciencedirect.com/science/book/9780444824042
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Molecular electrostatic potentials concepts and applications

2024-11-12T10:13:31Z

Author Murray, J. S. (Jane S.) Sen, K. D. (Kali Das), 1948-
Preferred Shelf Number ONLINE
Electronic Access ScienceDirect http://www.sciencedirect.com/science/book/9780444823533
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Modern density functional theory a tool for chemistry

2024-11-12T10:13:31Z

Author Seminario, J. M. Politzer, Peter, 1937-
Preferred Shelf Number ONLINE
Electronic Access ScienceDirect http://www.sciencedirect.com/science/book/9780444821713
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Group Theory Applied to Chemistry

2024-11-12T10:13:31Z

Author Ceulemans, Arnout Jozef. author. SpringerLink (Online service)
Preferred Shelf Number ONLINE(336332.1)
Electronic Access http://dx.doi.org/10.1007/978-94-007-6863-5
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Single-ion solvation Experimental and theoretical approaches to elusive thermodynamic quantities

2024-11-12T10:13:31Z

Author Hunenberger, Philippe H. Reif, Maria M.
Preferred Shelf Number ONLINE(344150.1)
Electronic Access http://dx.doi.org/10.1039/9781849732222
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Non-covalent interactions Theory and experiment

2024-11-12T10:13:31Z

Author Hobza, Pavel. Muller-Dethlefs, Klaus. Hirst, Jonathan. Lim, Carmay. Jordan, Kenneth D.
Preferred Shelf Number ONLINE(344042.1)
Electronic Access Unspecified, see website description
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Knowledge-based expert systems in chemistry Not counting on computers

2024-11-12T10:13:31Z

Author Judson, Phillip. Hirst, Jonathan. Lim, Carmay. Jordan, Kenneth D. Thiel, Walter.
Preferred Shelf Number ONLINE(344063.1)
Electronic Access Unspecified, see website description
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Energetic materials. Part 2, Detonation, combustion

2024-11-12T10:13:31Z

Author Politzer, Peter, 1937- Murray, J. S. (Jane S.)
Preferred Shelf Number ONLINE
Electronic Access ScienceDirect http://www.sciencedirect.com/science/book/9780444515193
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Computational quantum chemistry molecular structure and properties in silico

2024-11-12T10:13:31Z

Author McDouall, Joseph J. W.
Preferred Shelf Number ONLINE(343108.1)
Electronic Access Ebook Library http://public.eblib.com/choice/publicfullrecord.aspx?p=1713704 ebrary http://site.ebrary.com/id/10739153 Royal Society of Chemistry http://dx.doi.org/10.1039/9781849737289 http://swb.eblib.com/patron/FullRecord.aspx?p=1713704
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Reaction rate constant computations : theories and applications

2024-11-12T10:13:31Z

Author Han, Keli, editor. Chu, Tianshu, editor.
Preferred Shelf Number ONLINE(343145.1)
Electronic Access Royal Society of Chemistry http://dx.doi.org/10.1039/9781849737753 Ebook Library http://public.eblib.com/choice/publicfullrecord.aspx?p=1713739 http://swb.eblib.com/patron/FullRecord.aspx?p=1713739
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Computational nanoscience

2024-11-12T10:13:31Z

Author Bichoutskaia, Elena.
Preferred Shelf Number ONLINE(342977.1)
Electronic Access Royal Society of Chemistry http://dx.doi.org/10.1039/9781849732680 ebrary http://site.ebrary.com/id/10627638 http://swb.eblib.com/patron/FullRecord.aspx?p=1185388
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Pauling's legacy modern modelling of the chemical bond

2024-11-12T10:13:31Z

Author Maksić, Z. B. (Zvonimir B.) Orville-Thomas, W. J., 1921-
Preferred Shelf Number ONLINE
Electronic Access ScienceDirect http://www.sciencedirect.com/science/book/9780444825087
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Computational Science and Its Applications - ICCSA 2023 Workshops Athens, Greece, July 3-6, 2023, Proceedings, Part VIII

2024-11-12T10:13:31Z

Author Gervasi, Osvaldo. editor. (orcid) Murgante, Beniamino. editor. (orcid) Rocha, Ana Maria A. C. editor. (orcid) Garau, Chiara. editor. (orcid) Scorza, Francesco. editor.
Preferred Shelf Number XX(521014.1)
Electronic Access https://doi.org/10.1007/978-3-031-37126-4
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DNA Computing and Molecular Programming 21st International Conference, DNA 21, Boston and Cambridge, MA, USA, August 17-21, 2015. Proceedings

2024-11-12T10:13:31Z

Author Phillips, Andrew. editor. Yin, Peng. editor. SpringerLink (Online service)
Preferred Shelf Number XX(518778.1)
Electronic Access https://doi.org/10.1007/978-3-319-21999-8
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Interatomic bonding in solids fundamentals, simulation, applications

2024-11-12T10:13:31Z

Author Levitin, Valim.
Preferred Shelf Number ONLINE(342212.1)
Electronic Access John Wiley http://dx.doi.org/10.1002/9783527671557
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Topological Modelling of Nanostructures and Extended Systems

2024-11-12T10:13:31Z

Author Ashrafi, Ali Reza. editor. Cataldo, Franco. editor. Iranmanesh, Ali. editor. Ori, Ottorino. editor. SpringerLink (Online service)
Preferred Shelf Number ONLINE(336238.1)
Electronic Access http://dx.doi.org/10.1007/978-94-007-6413-2
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Cleaner Combustion Developing Detailed Chemical Kinetic Models

2024-11-12T10:13:31Z

Author Battin-Leclerc, Frédérique. editor. Simmie, John M. editor. Blurock, Edward. editor. SpringerLink (Online service)
Preferred Shelf Number ONLINE(331190.1)
Electronic Access http://dx.doi.org/10.1007/978-1-4471-5307-8
Format: Electronic Resources
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The Fundamentals of Atomic and Molecular Physics

2024-11-12T10:13:31Z

Author Brooks, Robert L. author. SpringerLink (Online service)
Preferred Shelf Number ONLINE(332087.1)
Electronic Access http://dx.doi.org/10.1007/978-1-4614-6678-9
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Ionic Liquid Bulk and Interface Properties Electronic Interaction, Molecular Orientation and Growth Characteristics

2024-11-12T10:13:31Z

Author Cremer, Till. author. SpringerLink (Online service)
Preferred Shelf Number ONLINE(332737.1)
Electronic Access http://dx.doi.org/10.1007/978-3-319-00380-1
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The Non-Ergodic Nature of Internal Conversion An Experimental and Theoretical Approach

2024-11-12T10:13:31Z

Author Scheby Kuhlman, Thomas. author. SpringerLink (Online service)
Preferred Shelf Number ONLINE(332739.1)
Electronic Access http://dx.doi.org/10.1007/978-3-319-00386-3
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Computational Physics Simulation of Classical and Quantum Systems

2024-11-12T10:13:31Z

Author Scherer, Philipp O.J. author. SpringerLink (Online service)
Preferred Shelf Number ONLINE(332743.1)
Electronic Access http://dx.doi.org/10.1007/978-3-319-00401-3
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Theoretical Femtosecond Physics Atoms and Molecules in Strong Laser Fields

2024-11-12T10:13:31Z

Author Grossmann, Frank. author. SpringerLink (Online service)
Preferred Shelf Number ONLINE(332777.1)
Electronic Access http://dx.doi.org/10.1007/978-3-319-00606-2
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Molecular Response Functions for the Polarizable Continuum Model Physical basis and quantum mechanical formalism

2024-11-12T10:13:31Z

Author Cammi, Roberto. author. SpringerLink (Online service)
Preferred Shelf Number ONLINE(332825.1)
Electronic Access http://dx.doi.org/10.1007/978-3-319-00987-2
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A Theoretical Study of Pd-Catalyzed C-C Cross-Coupling Reactions

2024-11-12T10:13:31Z

Author Melchor, Max García. author. SpringerLink (Online service)
Preferred Shelf Number ONLINE(332868.1)
Electronic Access http://dx.doi.org/10.1007/978-3-319-01490-6
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Computational Characterisation of Gold Nanocluster Structures

2024-11-12T10:13:31Z

Author Logsdail, Andrew James. author. SpringerLink (Online service)
Preferred Shelf Number ONLINE(332869.1)
Electronic Access http://dx.doi.org/10.1007/978-3-319-01493-7
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Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology

2024-11-12T10:13:31Z

Author Hotokka, Matti. editor. Brändas, Erkki J. editor. Maruani, Jean. editor. Delgado-Barrio, Gerardo. editor. SpringerLink (Online service)
Preferred Shelf Number ONLINE(332873.1)
Electronic Access http://dx.doi.org/10.1007/978-3-319-01529-3
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High Performance Computing in Science and Engineering ‘13 Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2013

2024-11-12T10:13:31Z

Author Nagel, Wolfgang E. editor. Kröner, Dietmar H. editor. Resch, Michael M. editor. SpringerLink (Online service)
Preferred Shelf Number ONLINE(332902.1)
Electronic Access http://dx.doi.org/10.1007/978-3-319-02165-2
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The Augmented Spherical Wave Method A Comprehensive Treatment

2024-11-12T10:13:31Z

Author Eyert, Volker. author. SpringerLink (Online service)
Preferred Shelf Number ONLINE(333142.1)
Electronic Access http://dx.doi.org/10.1007/978-3-642-25864-0
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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts From Interfaces to Molecular Electronics

2024-11-12T10:13:31Z

Author Abad, Enrique. author. SpringerLink (Online service)
Preferred Shelf Number ONLINE(333371.1)
Electronic Access http://dx.doi.org/10.1007/978-3-642-30907-6
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Astrochemistry and Astrobiology

2024-11-12T10:13:31Z

Author Smith, Ian W. M. editor. Cockell, Charles S. editor. Leach, Sydney. editor. SpringerLink (Online service)
Preferred Shelf Number ONLINE(333479.1)
Electronic Access http://dx.doi.org/10.1007/978-3-642-31730-9
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Electronic Structure and Number Theory Bohr’s Boldest Dream

2024-11-12T10:13:31Z

Author Boeyens, Jan C.A. editor. Comba, Peter. editor. SpringerLink (Online service)
Preferred Shelf Number ONLINE(333507.1)
Electronic Access http://dx.doi.org/10.1007/978-3-642-31977-8
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High Performance Computing in Science and Engineering ‘12 Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2012

2024-11-12T10:13:31Z

Author Nagel, Wolfgang E. editor. Kröner, Dietmar H. editor. Resch, Michael M. editor. SpringerLink (Online service)
Preferred Shelf Number ONLINE(333700.1)
Electronic Access http://dx.doi.org/10.1007/978-3-642-33374-3
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Einstein in Matrix Form Exact Derivation of the Theory of Special and General Relativity without Tensors

2024-11-12T10:13:31Z

Author Ludyk, Günter. author. SpringerLink (Online service)
Preferred Shelf Number ONLINE(334050.1)
Electronic Access http://dx.doi.org/10.1007/978-3-642-35798-5
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Frustrated Lewis Pairs I Uncovering and Understanding

2024-11-12T10:13:31Z

Author Erker, Gerhard. editor. Stephan, Douglas W. editor. SpringerLink (Online service)
Preferred Shelf Number ONLINE(334269.1)
Electronic Access http://dx.doi.org/10.1007/978-3-642-36697-0
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Frustrated Lewis Pairs II Expanding the Scope

2024-11-12T10:13:31Z

Author Erker, Gerhard. editor. Stephan, Douglas W. editor. SpringerLink (Online service)
Preferred Shelf Number ONLINE(334478.1)
Electronic Access http://dx.doi.org/10.1007/978-3-642-37759-4
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Dynamics in Enzyme Catalysis

2024-11-12T10:13:31Z

Author Klinman, Judith. editor. Hammes- Schiffer, Sharon. editor. SpringerLink (Online service)
Preferred Shelf Number ONLINE(334704.1)
Electronic Access http://dx.doi.org/10.1007/978-3-642-38962-7
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Biophysics and Structure to Counter Threats and Challenges

2024-11-12T10:13:31Z

Author Puglisi, Joseph D. editor. Margaris, Manolia V. editor. SpringerLink (Online service)
Preferred Shelf Number ONLINE(335850.1)
Electronic Access http://dx.doi.org/10.1007/978-94-007-4923-8
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Judgement and the Epistemic Foundation of Logic

2024-11-12T10:13:31Z

Author van der Schaar, Maria. editor. SpringerLink (Online service)
Preferred Shelf Number ONLINE(335895.1)
Electronic Access http://dx.doi.org/10.1007/978-94-007-5137-8
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Quantum Mechanics: Genesis and Achievements

2024-11-12T10:13:31Z

Author Komech, Alexander. author. SpringerLink (Online service)
Preferred Shelf Number ONLINE(336001.1)
Electronic Access http://dx.doi.org/10.1007/978-94-007-5542-0
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A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate Compounds

2024-11-12T10:13:31Z

Author Brandán, Silvia A. author. SpringerLink (Online service)
Preferred Shelf Number ONLINE(336058.1)
Electronic Access http://dx.doi.org/10.1007/978-94-007-5754-7
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A Structural and Vibrational Study of the Chromyl Chlorosulfate, Fluorosulfate, and Nitrate Compounds

2024-11-12T10:13:31Z

Author Brandán, Silvia A. author. SpringerLink (Online service)
Preferred Shelf Number ONLINE(336061.1)
Electronic Access http://dx.doi.org/10.1007/978-94-007-5763-9
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The Chemistry of Matter Waves

2024-11-12T10:13:31Z

Author Boeyens, Jan C.A. author. SpringerLink (Online service)
Preferred Shelf Number ONLINE(336367.1)
Electronic Access http://dx.doi.org/10.1007/978-94-007-7578-7
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Plasmonics: Theory and Applications

2024-11-12T10:13:31Z

Author Shahbazyan, Tigran V. editor. Stockman, Mark I. editor. SpringerLink (Online service)
Preferred Shelf Number ONLINE(336376.1)
Electronic Access http://dx.doi.org/10.1007/978-94-007-7805-4
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Metallic systems a quantum chemist's perspective

2024-11-12T10:13:31Z

Author Allison, Thomas Clayton. Coskuner, Orkid. Gonzl̀ez, Carlos A.
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Electronic Access Distributed by publisher. Purchase or institutional license may be required for access.
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Trends and perspectives in modern computational science lectures presented in the International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2006) : recognised conference by the European Society of Computational Methods in Sciences and Engineering (ESCMSE)

2024-11-12T10:13:31Z

Author International Conference of Computational Methods in Sciences and Engineering (2006 : Chania, Greece) Maroulis, George. Simos, T. E. European Society of Computational Methods in Science and Engineering.
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Electronic structure : basic theory and practical methods

2024-11-12T10:13:31Z

Author Martin, Richard M., 1942- author.
Preferred Shelf Number QC176.8 .E4 M368 2004
Electronic Access https://doi.org/10.1017/CBO9780511805769
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