Inicio > Matemáticas y ciencia > Química > Química física > Methods in Computational Chemistry
Methods in Computational Chemistry

Methods in Computational Chemistry

Stephen Wilson

205,95 €
IVA incluido
Consulta disponibilidad
Editorial:
Springer Nature B.V.
Año de edición:
1993
Materia
Química física
ISBN:
9780306442636

Selecciona una librería:

  • Librería Samer Atenea
  • Librería Aciertas (Toledo)
  • Kálamo Books
  • Librería Perelló (Valencia)
  • Librería Elías (Asturias)
  • Donde los libros
  • Librería Kolima (Madrid)
  • Librería Proteo (Málaga)
¡Pregúntanos!
Sobre IBD

Providing specialist reviews and analyses of contemporary theories, algorithms, and techniques, this series aims to facilitate the effective exploitation of available computing power. The current volume focuses on the theoretical determination of atomic and molecular properties as related to wave functions, electron densities, and total energies.

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 ...

Otros libros del autor

  • Making Men
    Stephen Wilson
    Making Men identifies and elaborates on a theme in the Hebrew Bible that has largely gone unnoticed by scholars-the transition of a male adolescent from boyhood to manhood. Wilson locates five examples of the male coming-of-age theme in the Hebrew Bible. The protagonists of these stories include the well-known biblical heroes Moses, Samuel, David, and Solomon. He also reveals t...
  • Oral Sedation for Dental Procedures in Children
    Stephen Wilson
    This is the first book devoted to the oral sedation of children in the dental office in order to facilitate their dental care. Written by well-respected and recognized leaders, educators, clinicians and researchers in the field of sedation, it reflects the latest evidenced-based practice and clinical expertise, provides guidance and offers an abundance of consistent and helpful...
    Disponible

    49,44 €

  • Methods in Computational Chemistry
    Stephen Wilson
    Recent years have seen the proliferation of new computer designs that employ parallel processing in one form or another in order to achieve maximum performance. Although the idea of improving the performance of computing machines by carrying out parts of the computation concurrently is not new (indeed, the concept was known to Babbage ), such machines...
    Disponible

    66,41 €

  • Methods in Computational Chemistry
    Stephen Wilson
    When, forty years ago, as a student of Charles Coulson in Oxford I began work in theoretical chemistry, I was provided with a Brunsviga calculator-a small mechanical device with a handle for propulsion, metal levers for setting the numbers, and a bell that rang to indicate overflow. What has since come to be known as computational chemistry was just b...
    Disponible

    207,25 €

  • Chemistry by Computer
    Stephen Wilson
    Computers have been applied to problems in chemistry and the chemical sciences since the dawn of the computer age; however, it is only in the past ten or fifteen years that we have seen the emergence of computational chemistry as a field of research in its own right. Its practitioners, computational chemists, are neither chemists who dabble in computi...
    Disponible

    66,49 €

  • Methods in Computational Chemistry
    Stephen Wilson
    Thisvolume isdevotedtomethodsfor thestudyoftheeffectsofrelativity on theelectronicstructure ofatomsand molecules. The accurate descrip­ tionofrelativisticeffectsinheavyatomshaslongbeenrecognizedasoneof the central problems ofatomic physics. Contemporary relativistic atomic structure calculations can be performed almost routinely. Recent years have see...
    Disponible

    66,22 €