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1. 
Cover image for Relativistic electronic structure theory
Relativistic electronic structure theory
Author 
Schwerdtfeger, Peter.
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2. 
Cover image for Nanomaterials design and simulation
Nanomaterials design and simulation
Author 
Balbuena, Perla B. Seminario, J. M.
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3. 
Cover image for Theoretical aspects of chemical reactivity
Theoretical aspects of chemical reactivity
Author 
Toro-Labbé, Alejandro.
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Cover image for Molecular and nano electronics analysis, design and simulation
Molecular and nano electronics analysis, design and simulation
Author 
Seminario, J. M.
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5. 
Cover image for Computational photochemistry
Computational photochemistry
Author 
Olivucci, M. (Massimo)
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6. 
Cover image for Computational materials science
Computational materials science
Author 
Leszczynski, Jerzy, 1949-
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7. 
Cover image for Energetic materials. Part 1, Decomposition, crystal and molecular properties
Energetic materials. Part 1, Decomposition, crystal and molecular properties
Author 
Politzer, Peter, 1937- Murray, J. S. (Jane S.)
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8. 
Cover image for Valence bond theory
Valence bond theory
Author 
Cooper, D. L.
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9. 
Cover image for Theoretical biochemistry processes and proterties of biological systems
Theoretical biochemistry processes and proterties of biological systems
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10. 
Cover image for Molecular dynamics from classical to quantum methods
Molecular dynamics from classical to quantum methods
Author 
Balbuena, Perla B. Seminario, J. M.
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11. 
Cover image for Computational molecular biology
Computational molecular biology
Author 
Leszczynski, Jerzy, 1949-
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12. 
Cover image for Theoretical organic chemistry
Theoretical organic chemistry
Author 
Párkányi, Cyril.
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13. 
Cover image for Theoretical organic chemistry
Theoretical organic chemistry
Author 
Párkányi, Cyril.
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QD476 .T427 1998 V.5
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14. 
Cover image for Recent developments and applications of modern density functional theory
Recent developments and applications of modern density functional theory
Author 
Seminario, J. M.
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15. 
Cover image for Molecular electrostatic potentials concepts and applications
Molecular electrostatic potentials concepts and applications
Author 
Murray, J. S. (Jane S.) Sen, K. D. (Kali Das), 1948-
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16. 
Cover image for Recent developments and applications of modern density functional theory
Recent developments and applications of modern density functional theory
Author 
Seminario, J. M.
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QD462.6.D45 R44 1996
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17. 
Cover image for Modern density functional theory a tool for chemistry
Modern density functional theory a tool for chemistry
Author 
Seminario, J. M. Politzer, Peter, 1937-
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18. 
Cover image for Group Theory Applied to Chemistry
Group Theory Applied to Chemistry
Author 
Ceulemans, Arnout Jozef. author. SpringerLink (Online service)
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http://dx.doi.org/10.1007/978-94-007-6863-5
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19. 
Cover image for Single-ion solvation Experimental and theoretical approaches to elusive thermodynamic quantities
Single-ion solvation Experimental and theoretical approaches to elusive thermodynamic quantities
Author 
Hunenberger, Philippe H. Reif, Maria M.
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ONLINE(344150.1)
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http://dx.doi.org/10.1039/9781849732222
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20. 
Cover image for Non-covalent interactions Theory and experiment
Non-covalent interactions Theory and experiment
Author 
Hobza, Pavel. Muller-Dethlefs, Klaus. Hirst, Jonathan. Lim, Carmay. Jordan, Kenneth D.
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21. 
Cover image for Knowledge-based expert systems in chemistry Not counting on computers
Knowledge-based expert systems in chemistry Not counting on computers
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Judson, Phillip. Hirst, Jonathan. Lim, Carmay. Jordan, Kenneth D. Thiel, Walter.
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22. 
Cover image for Energetic materials. Part 2, Detonation, combustion
Energetic materials. Part 2, Detonation, combustion
Author 
Politzer, Peter, 1937- Murray, J. S. (Jane S.)
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23. 
Cover image for Computational quantum chemistry molecular structure and properties in silico
Computational quantum chemistry molecular structure and properties in silico
Author 
McDouall, Joseph J. W.
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ONLINE(343108.1)
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24. 
Cover image for Reaction rate constant computations : theories and applications
Reaction rate constant computations : theories and applications
Author 
Han, Keli, editor. Chu, Tianshu, editor.
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ONLINE(343145.1)
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25. 
Cover image for Computational nanoscience
Computational nanoscience
Author 
Bichoutskaia, Elena.
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ONLINE(342977.1)
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26. 
Cover image for Pauling's legacy modern modelling of the chemical bond
Pauling's legacy modern modelling of the chemical bond
Author 
Maksić, Z. B. (Zvonimir B.) Orville-Thomas, W. J., 1921-
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27. 
Cover image for Computational Science and Its Applications - ICCSA 2023 Workshops Athens, Greece, July 3-6, 2023, Proceedings, Part VIII
Computational Science and Its Applications - ICCSA 2023 Workshops Athens, Greece, July 3-6, 2023, Proceedings, Part VIII
Author 
Gervasi, Osvaldo. editor. (orcid) Murgante, Beniamino. editor. (orcid) Rocha, Ana Maria A. C. editor. (orcid) Garau, Chiara. editor. (orcid) Scorza, Francesco. editor.
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XX(521014.1)
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28. 
Cover image for DNA Computing and Molecular Programming 21st International Conference, DNA 21, Boston and Cambridge, MA, USA, August 17-21, 2015. Proceedings
DNA Computing and Molecular Programming 21st International Conference, DNA 21, Boston and Cambridge, MA, USA, August 17-21, 2015. Proceedings
Author 
Phillips, Andrew. editor. Yin, Peng. editor. SpringerLink (Online service)
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XX(518778.1)
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https://doi.org/10.1007/978-3-319-21999-8
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29. 
Cover image for Interatomic bonding in solids fundamentals, simulation, applications
Interatomic bonding in solids fundamentals, simulation, applications
Author 
Levitin, Valim.
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ONLINE(342212.1)
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John Wiley http://dx.doi.org/10.1002/9783527671557
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30. 
Cover image for Plasmonics: Theory and Applications
Plasmonics: Theory and Applications
Author 
Shahbazyan, Tigran V. editor. Stockman, Mark I. editor. SpringerLink (Online service)
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31. 
Cover image for Cleaner Combustion Developing Detailed Chemical Kinetic Models
Cleaner Combustion Developing Detailed Chemical Kinetic Models
Author 
Battin-Leclerc, Frédérique. editor. Simmie, John M. editor. Blurock, Edward. editor. SpringerLink (Online service)
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ONLINE(331190.1)
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32. 
Cover image for Molecular Response Functions for the Polarizable Continuum Model Physical basis and quantum mechanical formalism
Molecular Response Functions for the Polarizable Continuum Model Physical basis and quantum mechanical formalism
Author 
Cammi, Roberto. author. SpringerLink (Online service)
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33. 
Cover image for Computational Physics Simulation of Classical and Quantum Systems
Computational Physics Simulation of Classical and Quantum Systems
Author 
Scherer, Philipp O.J. author. SpringerLink (Online service)
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34. 
Cover image for The Augmented Spherical Wave Method A Comprehensive Treatment
The Augmented Spherical Wave Method A Comprehensive Treatment
Author 
Eyert, Volker. author. SpringerLink (Online service)
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ONLINE(333142.1)
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35. 
Cover image for Astrochemistry and Astrobiology
Astrochemistry and Astrobiology
Author 
Smith, Ian W. M. editor. Cockell, Charles S. editor. Leach, Sydney. editor. SpringerLink (Online service)
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36. 
Cover image for Frustrated Lewis Pairs I Uncovering and Understanding
Frustrated Lewis Pairs I Uncovering and Understanding
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Erker, Gerhard. editor. Stephan, Douglas W. editor. SpringerLink (Online service)
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37. 
Cover image for Frustrated Lewis Pairs II Expanding the Scope
Frustrated Lewis Pairs II Expanding the Scope
Author 
Erker, Gerhard. editor. Stephan, Douglas W. editor. SpringerLink (Online service)
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38. 
Cover image for Dynamics in Enzyme Catalysis
Dynamics in Enzyme Catalysis
Author 
Klinman, Judith. editor. Hammes- Schiffer, Sharon. editor. SpringerLink (Online service)
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39. 
Cover image for Judgement and the Epistemic Foundation of Logic
Judgement and the Epistemic Foundation of Logic
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van der Schaar, Maria. editor. SpringerLink (Online service)
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40. 
Cover image for Quantum Mechanics: Genesis and Achievements
Quantum Mechanics: Genesis and Achievements
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Komech, Alexander. author. SpringerLink (Online service)
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41. 
Cover image for Biophysics and Structure to Counter Threats and Challenges
Biophysics and Structure to Counter Threats and Challenges
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Puglisi, Joseph D. editor. Margaris, Manolia V. editor. SpringerLink (Online service)
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42. 
Cover image for Topological Modelling of Nanostructures and Extended Systems
Topological Modelling of Nanostructures and Extended Systems
Author 
Ashrafi, Ali Reza. editor. Cataldo, Franco. editor. Iranmanesh, Ali. editor. Ori, Ottorino. editor. SpringerLink (Online service)
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43. 
Cover image for Theoretical Femtosecond Physics Atoms and Molecules in Strong Laser Fields
Theoretical Femtosecond Physics Atoms and Molecules in Strong Laser Fields
Author 
Grossmann, Frank. author. SpringerLink (Online service)
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44. 
Cover image for Ionic Liquid Bulk and Interface Properties Electronic Interaction, Molecular Orientation and Growth Characteristics
Ionic Liquid Bulk and Interface Properties Electronic Interaction, Molecular Orientation and Growth Characteristics
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Cremer, Till. author. SpringerLink (Online service)
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45. 
Cover image for The Non-Ergodic Nature of Internal Conversion An Experimental and Theoretical Approach
The Non-Ergodic Nature of Internal Conversion An Experimental and Theoretical Approach
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Scheby Kuhlman, Thomas. author. SpringerLink (Online service)
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46. 
Cover image for A Theoretical Study of Pd-Catalyzed C-C Cross-Coupling Reactions
A Theoretical Study of Pd-Catalyzed C-C Cross-Coupling Reactions
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Melchor, Max García. author. SpringerLink (Online service)
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47. 
Cover image for Computational Characterisation of Gold Nanocluster Structures
Computational Characterisation of Gold Nanocluster Structures
Author 
Logsdail, Andrew James. author. SpringerLink (Online service)
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48. 
Cover image for Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology
Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology
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Hotokka, Matti. editor. Brändas, Erkki J. editor. Maruani, Jean. editor. Delgado-Barrio, Gerardo. editor. SpringerLink (Online service)
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49. 
Cover image for High Performance Computing in Science and Engineering ‘13 Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2013
High Performance Computing in Science and Engineering ‘13 Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2013
Author 
Nagel, Wolfgang E. editor. Kröner, Dietmar H. editor. Resch, Michael M. editor. SpringerLink (Online service)
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50. 
Cover image for Energy Level Alignment and Electron Transport Through Metal/Organic Contacts From Interfaces to Molecular Electronics
Energy Level Alignment and Electron Transport Through Metal/Organic Contacts From Interfaces to Molecular Electronics
Author 
Abad, Enrique. author. SpringerLink (Online service)
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51. 
Cover image for Electronic Structure and Number Theory Bohr’s Boldest Dream
Electronic Structure and Number Theory Bohr’s Boldest Dream
Author 
Boeyens, Jan C.A. editor. Comba, Peter. editor. SpringerLink (Online service)
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52. 
Cover image for High Performance Computing in Science and Engineering ‘12 Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2012
High Performance Computing in Science and Engineering ‘12 Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2012
Author 
Nagel, Wolfgang E. editor. Kröner, Dietmar H. editor. Resch, Michael M. editor. SpringerLink (Online service)
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53. 
Cover image for Einstein in Matrix Form Exact Derivation of the Theory of Special and General Relativity without Tensors
Einstein in Matrix Form Exact Derivation of the Theory of Special and General Relativity without Tensors
Author 
Ludyk, Günter. author. SpringerLink (Online service)
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54. 
Cover image for A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate Compounds
A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate Compounds
Author 
Brandán, Silvia A. author. SpringerLink (Online service)
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55. 
Cover image for A Structural and Vibrational Study of the Chromyl Chlorosulfate, Fluorosulfate, and Nitrate Compounds
A Structural and Vibrational Study of the Chromyl Chlorosulfate, Fluorosulfate, and Nitrate Compounds
Author 
Brandán, Silvia A. author. SpringerLink (Online service)
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56. 
Cover image for The Chemistry of Matter Waves
The Chemistry of Matter Waves
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Boeyens, Jan C.A. author. SpringerLink (Online service)
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57. 
Cover image for The Fundamentals of Atomic and Molecular Physics
The Fundamentals of Atomic and Molecular Physics
Author 
Brooks, Robert L. author. SpringerLink (Online service)
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http://dx.doi.org/10.1007/978-1-4614-6678-9
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58. 
Cover image for Metallic systems a quantum chemist's perspective
Metallic systems a quantum chemist's perspective
Author 
Allison, Thomas Clayton. Coskuner, Orkid. Gonzl̀ez, Carlos A.
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59. 
Cover image for 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)
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)
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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60. 
Cover image for Electronic structure : basic theory and practical methods
Electronic structure : basic theory and practical methods
Author 
Martin, Richard M., 1942- author.
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QC176.8 .E4 M368 2004
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https://doi.org/10.1017/CBO9780511805769
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