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Bruce Yoder’s thesis outlines his investigation of the dissociative chemisorption of methane (CH4) on a nickel single... Læs mere
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Jemmis on the occasion of his 60th birthday, selected researchers in theoretical chemistry present research highlights on major... Læs mere
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Barone, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally... Læs mere
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This book is on quantal density functional theory (QDFT) which is a time-dependent local effective potential theory of the electronic structure of matter.... Læs mere
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In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. This book first reviews the basic concepts and... Læs mere
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Moreover, the frontiers of this research field are defined.This volume is of interest to atomic and molecular physicists, physical chemists and chemical physicists, quantum chemists and condensed matter theorists, computational chemists and applied mathematicians.
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The target readership includes scientists, as well as non-scientists – everybody with a scientific or philosophical interest in cosmology and, especially those cosmologists and... Læs mere
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Moreover, the frontiers of this research field are defined.This volume is of interest to atomic and molecular physicists, physical chemists and chemical physicists, quantum chemists and condensed matter theorists, computational chemists and applied mathematicians.
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Synthesizing the current research on carbon materials, this volume explores how varying methods can be combined while presenting how new carbon structures are predicted. The text serves as an up-to-date survey on the theoretical and computational research on novel carbon systems.
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A Structural and Vibrational Study of the Chromyl Chlorosulfate, Fluorosulfate and Nitrate Compounds presents important studies related to the structural and vibrational properties on the chromyl compounds based on Ab-initio calculations.
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The quantum and relativity theories of physics are considered to underpin all of science in an absolute sense.
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A broad range of state-of-the-art methods to determine properties of clusters are presented. Furthermore, existing theoretical models... Læs mere