Foresman, James B.,
Exploring chemistry with electronic structure methods / James B. Foresman, Æleen Frisch. - Third edition - xv, 531 pages : illustrations (chiefly color), portraits (some color) ; 25 cm
Includes bibliographical references (pages 503-522) and index.
Using Computations in Chemical Research -- Getting Started with Calculations -- Geometry Optimizations -- Predicting Chemical Properties -- Modeling Chemistry in Solution -- Studying Reaction Mechanisms -- Predicting Spectra -- Modeling Excited States -- Advanced Modeling Techniques -- The Theoretical Background -- Molecule index.
9781935522034 1935522035
2017302702
Chemistry--Data processing.
Chemical models.
Chemical models.
Chemistry--Data processing.
QD39.3.E46 / F67 2015
542/.85
Exploring chemistry with electronic structure methods / James B. Foresman, Æleen Frisch. - Third edition - xv, 531 pages : illustrations (chiefly color), portraits (some color) ; 25 cm
Includes bibliographical references (pages 503-522) and index.
Using Computations in Chemical Research -- Getting Started with Calculations -- Geometry Optimizations -- Predicting Chemical Properties -- Modeling Chemistry in Solution -- Studying Reaction Mechanisms -- Predicting Spectra -- Modeling Excited States -- Advanced Modeling Techniques -- The Theoretical Background -- Molecule index.
9781935522034 1935522035
2017302702
Chemistry--Data processing.
Chemical models.
Chemical models.
Chemistry--Data processing.
QD39.3.E46 / F67 2015
542/.85
