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Challenges and Advances in Computational Chemistry and Physics

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  1. Noncovalent Forces

    Noncovalent Forces

    Del 19 · Steve Scheiner · 2015

  2. Boron

    Boron

    Del 20 · Drahomír Hnyk, Michael McKee · 2015

  3. Quantum Modeling of Complex Molecular Systems

    Quantum Modeling of Complex Molecular Systems

    Del 21 · Jean-Louis Rivail, Manuel Ruiz-Lopez, Xavier Assfeld · 2015

  4. Applications of Topological Methods in Molecular Chemistry

    Applications of Topological Methods in Molecular Chemistry

    Del 22 · Remi Chauvin, Christine Lepetit, Bernard Silvi, Esmail Alikhani · 2016

  5. Clusters

    Clusters

    Del 23 · Minh Tho Nguyen, Boggavarapu Kiran · 2017

  6. Advances in QSAR Modeling

    Advances in QSAR Modeling

    Del 24 · Kunal Roy · 2017

  7. Energetic Materials

    Energetic Materials

    Del 25 · Manoj K. Shukla, Veera M. Boddu, Jeffery A. Steevens, Reddy Damavarapu, Jerzy Leszczynski · 2017

  8. Molecular Spectroscopy—Experiment and Theory

    Molecular Spectroscopy—Experiment and Theory

    Del 26 · Andrzej Koleżyński, Magdalena Król · 2018

  9. Structural Bioinformatics: Applications in Preclinical Drug Discovery Process

    Structural Bioinformatics: Applications in Preclinical Drug Discovery Process

    Del 27 · C. Gopi Mohan · 2019

  10. Computational Approaches for Chemistry Under Extreme Conditions

    Computational Approaches for Chemistry Under Extreme Conditions

    Del 28 · Nir Goldman · 2019

  11. Transition Metals in Coordination Environments

    Transition Metals in Coordination Environments

    Del 29 · Ewa Broclawik, Tomasz Borowski, Mariusz Radoń · 2019

  12. Advances in Computational Toxicology

    Advances in Computational Toxicology

    Del 30 · Huixiao Hong · 2019

  13. QM/MM Studies of Light-responsive Biological Systems

    QM/MM Studies of Light-responsive Biological Systems

    Del 31 · Tadeusz Andruniów, Massimo Olivucci · 2020

  14. Development of Solar Cells

    Development of Solar Cells

    Del 32 · Juganta K. Roy, Supratik Kar, Jerzy Leszczynski · 2021

  15. Current Trends in Computational Modeling for Drug Discovery

    Current Trends in Computational Modeling for Drug Discovery

    Del 35 · Supratik Kar, Jerzy Leszczynski · 2023

  16. Machine Learning in Molecular Sciences

    Machine Learning in Molecular Sciences

    Del 36 · Chen Qu, Hanchao Liu · 2023

  17. Materials Informatics I

    Materials Informatics I

    Del 39 · Kunal Roy, Arkaprava Banerjee · 2025

  18. Materials Informatics II

    Materials Informatics II

    Del 40 · Kunal Roy, Arkaprava Banerjee · 2025

  19. Materials Informatics III

    Materials Informatics III

    Del 41 · Kunal Roy, Arkaprava Banerjee · 2025

  20. Computational Approaches in Drug Design

    Computational Approaches in Drug Design

    Del 42 · Seetharama Jois, Prajesh Shrestha · 2026

  21. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES

    QSPR/QSAR Analysis Using SMILES and Quasi-SMILES

    Alla P. Toropova, Andrey A. Toropov · 2023

  22. Computational Modelling of Molecular Nanomagnets

    Computational Modelling of Molecular Nanomagnets

    Gopalan Rajaraman · 2023

  23. Computational studies of RNA and DNA

    Computational studies of RNA and DNA

    Jirí Šponer, Filip Lankaš · 2006

  24. Non-Linear Optical Properties of Matter

    Non-Linear Optical Properties of Matter

    Manthos G. Papadopoulos, Andrzej J. Sadlej, Jerzy Leszczynski · 2006

  25. Emerging Materials and Environment

    Emerging Materials and Environment

    Manoj Shukla, Elizabeth Ferguson, Jerzy Leszczynski · 2023

  26. Hydrogen Bonding - New Insights

    Hydrogen Bonding - New Insights

    Slawomir Grabowski · 2006

  27. Molecular Materials with Specific Interactions - Modeling and Design

    Molecular Materials with Specific Interactions - Modeling and Design

    W. Andrzej Sokalski · 2007

  28. Radiation Induced Molecular Phenomena in Nucleic Acids

    Radiation Induced Molecular Phenomena in Nucleic Acids

    Manoj Shukla, Jerzy Leszczynski · 2008

  29. Recent Advances in QSAR Studies

    Recent Advances in QSAR Studies

    Tomasz Puzyn, Jerzy Leszczynski, Mark T. Cronin · 2009

  30. Multi-scale Quantum Models for Biocatalysis

    Multi-scale Quantum Models for Biocatalysis

    Darrin M. York, Tai-Sung Lee · 2009

  31. Trends in Computational Nanomechanics

    Trends in Computational Nanomechanics

    Traian Dumitrica · 2009

  32. Relativistic Methods for Chemists

    Relativistic Methods for Chemists

    Maria Barysz, Yasuyuki Ishikawa · 2010

  33. Artificial Intelligence and Computational Approaches in Drug Discovery and Development

    Artificial Intelligence and Computational Approaches in Drug Discovery and Development

    Samir Chtita · 2026

  34. Recent Progress in Coupled Cluster Methods

    Recent Progress in Coupled Cluster Methods

    Petr Cársky, Josef Paldus, Jirí Pittner · 2010

  35. Advanced Computational Techniques in Rational Drug Development

    Advanced Computational Techniques in Rational Drug Development

    Suddhasattya Dey, Ravi Rawat, Uma Ranjan Lal, Manik Ghosh · 2026

  36. Linear-Scaling Techniques in Computational Chemistry and Physics

    Linear-Scaling Techniques in Computational Chemistry and Physics

    Robert Zaleśny, Manthos G. Papadopoulos, Paul G. Mezey, Jerzy Leszczynski · 2011

  37. Kinetics and Dynamics

    Kinetics and Dynamics

    Piotr Paneth, Agnieszka Dybala-Defratyka · 2010

  38. Solvation Effects on Molecules and Biomolecules

    Solvation Effects on Molecules and Biomolecules

    Sylvio Canuto · 2010

  39. Plasmonics: Theory and Applications

    Plasmonics: Theory and Applications

    Tigran V. Shahbazyan, Mark I. Stockman · 2014

  40. Optical Spectroscopy and Computational Methods in Biology and Medicine

    Optical Spectroscopy and Computational Methods in Biology and Medicine

    Malgorzata Baranska · 2013

  41. Design and Applications of Nanomaterials for Sensors

    Design and Applications of Nanomaterials for Sensors

    Jorge M. Seminario · 2014

  42. Application of Computational Techniques in Pharmacy and Medicine

    Application of Computational Techniques in Pharmacy and Medicine

    Leonid Gorb, Victor Kuz'min, Eugene Muratov · 2014

  43. Semiclassical Nonadiabatic Molecular Dynamics

    Semiclassical Nonadiabatic Molecular Dynamics

    Chaoyuan Zhu · 2024