RECENT PROGRESS IN ORBITAL-FREE DENSITY FUNCTIONAL THEORY

Artículos relacionados

• 

  MARIE SKLODOWSKA CURIE

  Irina Rodica Rabeja

  Marie Sklodowska Curie (7 November 1867 – 4 July 1934) was one of the greatest scientific minds that brought a fundamental contribution in science opening the door to the understanding/knowledge of the structure of the atom in the 20th century.                 Marie Sklodowska Curie’s hypothesis that the spontaneous emission of powerful rays by some chemical elements, emission ...

  Disponible

  89,28 €

• 

  COMPUTER SIMULATIONS OF MOLECULES AND CONDENSED MATTER

  En-Ge Wang / LI XIN-ZHENG / Xin-Zheng Li / XIN-ZHENG LI & EN-GE WANG

  This book provides a relatively complete introduction to the methods used in computational condensed matter. A wide range of electronic structure theories are introduced, including traditional quantum chemistry methods, density functional theory, many-body perturbation theory, and more. Molecular dynamics simulations are also discussed, with extensions to enhanced sampling and ...
• 

  APPLIED THEORETICAL ORGANIC CHEMISTRY

  DEAN J TANTILLO / TANTILLO DEAN J

  This book provides state-of-the-art information on how studies in applied theoretical organic chemistry are conducted. It highlights the many approaches and tools available to those interested in using computational chemistry to predict and rationalize structures and reactivity of organic molecules. Chapters not only describe theoretical techniques in detail, but also describe ...
• 

  ELECTROANALYTICAL METHODS

  S Rani

  'Electroanalytical Methods' is a pivotal text that offers a comprehensive exploration of electrochemistry and its numerous applications across a wide array of scientific disciplines, including earth science, life science, physical science, biochemistry, and pharmaceutical chemistry. This book is an invaluable resource for chemistry graduates, underlining the increasing necessit...

  Disponible

  18,75 €

• 

  Advances in the Preparation, Properties and Application of Polyurethane, Cellulose and Their Composites

  Due to their excellent properties, polyurethane, cellulose and their composites have become widely used in previously unimagined areas. Given the fast-increasing consumption in recent years, the demand for advanced polyurethane- and cellulose-based composites is rapidly growing. Accordingly, this Special Issue seeks to showcase research papers, short communications and review a...
• 

  QUANTUM FIELD THEORY

  PORTER RICHARD N / RICHARD N PORTER

  This introduction to quantum field theory (QFT) is written by a physical chemist for physical chemists, chemical physicists, and other non-physicists with knowledge of quantum theory but who want to explore ways in which they might use the power of QFT in their investigations. This book starts where many graduate courses in quantum theory that are offered to chemistry students ...