Bokus

Theoretical and Computational Chemistry

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  1. Quantitative Treatments of Solute/Solvent Interactions

    Quantitative Treatments of Solute/Solvent Interactions

    Del 1 · P. Politzer, J.S. Murray · 1994

  2. Molecular Electrostatic Potentials

    Molecular Electrostatic Potentials

    Del 3 · J.S. Murray, K. Sen · 1996

  3. Recent Developments and Applications of Modern Density Functional Theory

    Recent Developments and Applications of Modern Density Functional Theory

    Del 4 · Jorge M. Seminario · 1996

  4. Theoretical Organic Chemistry

    Theoretical Organic Chemistry

    Del 5 · C. P�rk�nyi · 1997

  5. Molecular Dynamics

    Molecular Dynamics

    Del 7 · Perla Balbuena, Jorge M. Seminario · 1999

  6. Computational Molecular Biology

    Computational Molecular Biology

    Del 8 · J. Leszczynski · 1999

  7. Theoretical Biochemistry

    Theoretical Biochemistry

    Del 9 · Leif A. Eriksson · 2001

  8. Valence Bond Theory

    Valence Bond Theory

    Del 10 · David Cooper · 2002

  9. Relativistic Electronic Structure Theory - Fundamentals

    Relativistic Electronic Structure Theory - Fundamentals

    Del 11 · 2002

  10. Energetic Materials

    Energetic Materials

    Del 13 · 2003

  11. Relativistic Electronic Structure Theory

    Relativistic Electronic Structure Theory

    Del 14 · Peter, Schwerdtfeger · 2004

  12. Computational Materials Science

    Computational Materials Science

    Del 15 · Jerzy Leszcynski, Jerzy Leszcynski · 2004

  13. Computational Photochemistry

    Computational Photochemistry

    Del 16 · Massimo Olivucci · 2005

  14. Molecular and Nano Electronics: Analysis, Design and Simulation

    Molecular and Nano Electronics: Analysis, Design and Simulation

    Del 17 · Jorge M. Seminario · 2006

  15. Nanomaterials: Design and Simulation

    Nanomaterials: Design and Simulation

    Del 18 · Perla Balbuena, Jorge M. Seminario · 2006

  16. Theoretical Aspects of Chemical Reactivity

    Theoretical Aspects of Chemical Reactivity

    Del 19 · 2006

  17. The Crystalline States of Organic Compounds

    The Crystalline States of Organic Compounds

    Del 20 · Angelo Gavezzotti · 2021

  18. Properties and Functionalization of Graphene

    Properties and Functionalization of Graphene

    Del 21 · Dinadayalane Tandabany, Frank Hagelberg · 2022

  19. Molecular Modeling of the Sensitivities of Energetic Materials

    Molecular Modeling of the Sensitivities of Energetic Materials

    Del 22 · Didier Mathieu · 2022

  20. Python for Quantum Chemistry

    Python for Quantum Chemistry

    Del 23 · Qiming Sun · 2025

  21. Theoretical and Physical Chemistry of Triel Bonding

    Theoretical and Physical Chemistry of Triel Bonding

    Del 24 · Slawomir Janusz Grabowski · 2025

  22. Density Functional Theory

    Density Functional Theory

    Del 25 · Aleksey E. Kuznetsov · 2025

  23. Cheminformatics with Python

    Cheminformatics with Python

    Del 26 · Hongmei Lu, Ming Wen · 2026

  24. Computational Modelling Approaches to Energy Storage Materials

    Computational Modelling Approaches to Energy Storage Materials

    Del 27 · Daniele Fazzi, Marco Marazzi · 2027

  25. A Beginner's Guide to Computational Chemistry

    A Beginner's Guide to Computational Chemistry

    Del 28 · John M. Galbraith, T. Daniel Crawford · 2027

  26. Metamorphosis of Computational Chemistry Driven by Artificial Intelligence and Industry 5.0

    Metamorphosis of Computational Chemistry Driven by Artificial Intelligence and Industry 5.0

    Garikapati Narahari Sastry, Hridoy Jyoti Mahanta, Selvaraman Nagamani, Dinadayalane Tandabany · 2027

  27. Computational Modeling for Advanced Photovoltaics

    Computational Modeling for Advanced Photovoltaics

    Sergei Manzhos, Giacomo Giorgi, Mariachiara Pastore, Il Jeon · 2027

  28. Quantum Algorithms for Molecular Systems

    Quantum Algorithms for Molecular Systems

    Joonsuk Huh, Hyuk-Yong Kwon, Victor S. Batista · 2027

  29. Introduction to Computational Electrochemistry

    Introduction to Computational Electrochemistry

    Hyungjun Kim, Stefan Ringe, Leanne D. Chen · 2027