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Soil physics --- Propriété physicochimique du sol --- soil chemicophysical properties --- Hydrologie --- Hydrology --- Trait micromorphologique du sol --- Soil micromorphological features --- Densité du sol --- Soil density --- Mécanique du sol --- soil mechanics --- Porosité du sol --- Soil pore system --- Transport dans le sol --- soil transport processes --- Modèle de simulation --- Simulation models --- Zone d'évapotranspiration --- Evapotranspiration zone --- Teneur en eau du sol --- Soil water content --- Soil physics. --- Soil moisture. --- 631.4 --- Soil science. Pedology. Soil research --- 631.4 Soil science. Pedology. Soil research --- Soil moisture --- Agricultural physics --- Soil mechanics --- Moisture of soils --- Soil water --- Groundwater --- Soil infiltration rate --- Soils, Irrigated --- HYDRUS --- RZWQM

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The editors of this volume have compiled an important book that is a useful vehicle for important computational research - in the development of theoretical methodologies and their practical applications. Themes include new methodologies, state-of-the-art computational algorithms and hardware as well as new applications. This volume, Practical Aspects of Computational Chemistry IV, is part of a continuous effort by the editors to document recent progress made by eminent researchers. Most of these chapters have been collected from invited speakers from the annual international meeting: “Current Trends in Computational Chemistry” organized by Jerzy Leszczynski, one of the editors of the current volume. This conference series has become an exciting platform for eminent Theoretical/Computational Chemists to discuss their recent findings and is regularly honored by the presence of Nobel laureates. Certainly, it is not possible to cover all topics related to the Computational Chemistry in a single volume but we hope that the recent contributions in the latest volume of this collection adequately highlight this important scientific area.

Chemistry. --- Physical chemistry. --- Chemistry, Physical and theoretical. --- Materials --- Thin films. --- Theoretical and Computational Chemistry. --- Surfaces and Interfaces, Thin Films. --- Physical Chemistry. --- Surfaces. --- Chemistry, Physical and theoretical --- Data processing. --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Surfaces (Physics). --- Chemistry, Physical organic. --- Chemistry, Physical organic --- Chemistry, Organic --- Physics --- Surface chemistry --- Surfaces (Technology) --- Physical sciences --- Materials—Surfaces. --- Films, Thin --- Solid film --- Solid state electronics --- Solids --- Coatings --- Thick films

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Mathematical physics --- Chemistry --- Computer. Automation --- theoretische fysica --- chemie --- informatica

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The editors of this volume have compiled an important book that is a useful vehicle for important computational research - in the development of theoretical methodologies and their practical applications. Themes include new methodologies, state-of-the-art computational algorithms and hardware as well as new applications. This volume, Practical Aspects of Computational Chemistry IV, is part of a continuous effort by the editors to document recent progress made by eminent researchers. Most of these chapters have been collected from invited speakers from the annual international meeting: “Current Trends in Computational Chemistry” organized by Jerzy Leszczynski, one of the editors of the current volume. This conference series has become an exciting platform for eminent Theoretical/Computational Chemists to discuss their recent findings and is regularly honored by the presence of Nobel laureates. Certainly, it is not possible to cover all topics related to the Computational Chemistry in a single volume but we hope that the recent contributions in the latest volume of this collection adequately highlight this important scientific area.

Solid state physics --- Surface chemistry --- Physicochemistry --- Chemistry --- Materials sciences --- Computer. Automation --- materiaalkennis --- chemie --- informatica --- fysica --- fysicochemie

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Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends gathers the discussion of advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title reflects the celebration of the twentieth anniversary of the Conference on Current Trends in Computational Chemistry (CCTCC)  to success of which all authors contributed. Starting with the recent development of modeling of solvation effect using the Polarizable Continuum Model (PCM) at the Coupled-Cluster level and the effects of extreme pressure on the molecular properties within the PCM framework, this volume focuses on the association/dissociation of ion pairs in binary solvent mixtures, application of graph theory to determine the all possible structures and temperature-dependent distribution of water cluster, generalized-ensemble algorithms for the complex molecular simulation, QM/MD based investigation of formation of different nanostructures under nonequilibrium conditions, quantum mechanical study of chemical reactivity of carbon nanotube, covalent functionalization of single walled-carbon nanotube, designing of functional materials, importance of long-range dispersion interaction to study nanomaterials, recent advances in QSPR/QSAR analysis of nitrocompounds, prediction of physico-chemical properties of energetic materials, electronic structure and properties of 3d transition metal dimers, the -bond activation reactions by transition metal complexes, theoretical modeling of environmental mercury depletion reaction, organolithium chemistry and computational modeling of low-energy electron induced DNA damage. This volume is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problems of chemical and physical importance. This book provides valuable information to undergraduate, graduate, and PhD students as well as to established researchers.

Mathematical physics --- Chemistry --- Computer. Automation --- theoretische fysica --- chemie --- informatica