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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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Theoretical and Computational Chemistry research has made unparalleled advancements in understanding every expanding area of science and technology. This volume presents the state-of-the-art research and progress made by eminent researchers in the area of theoretical computational chemistry and physics. The title mirrors the name of the annual international conference “Conference on Current Trends on Computational Chemistry” (CCTCC) which has become a popular discussion ground for eminent Theoretical and Computational Chemists and has been honored by the presence of several Nobel Laureates. Practical Aspects of Computational Chemistry III is aimed at theoretical and computational chemists, physical chemists, material scientists, and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. The book is a valuable resource for undergraduate, graduate, and PhD students as well as established researchers.
Computational chemistry. --- Chemistry, Physical and theoretical --- Data processing. --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Chemistry. --- Nanotechnology. --- Biology --- Theoretical and Computational Chemistry. --- Theoretical, Mathematical and Computational Physics. --- Computer Appl. in Life Sciences. --- Molecular technology --- Nanoscale technology --- High technology --- Physical sciences --- Chemistry, Physical and theoretical. --- Mathematical physics. --- Bioinformatics . --- Computational biology . --- Bioinformatics --- Bio-informatics --- Biological informatics --- Information science --- Computational biology --- Systems biology --- Physical mathematics --- Physics --- Data processing --- Mathematics
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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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Mathematical physics --- Chemistry --- Computer. Automation --- theoretische fysica --- chemie --- informatica
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Theoretical and Computational Chemistry research has made unparalleled advancements in understanding every expanding area of science and technology. This volume presents the state-of-the-art research and progress made by eminent researchers in the area of theoretical computational chemistry and physics. The title mirrors the name of the annual international conference “Conference on Current Trends on Computational Chemistry” (CCTCC) which has become a popular discussion ground for eminent Theoretical and Computational Chemists and has been honored by the presence of several Nobel Laureates. Practical Aspects of Computational Chemistry III is aimed at theoretical and computational chemists, physical chemists, material scientists, and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. The book is a valuable resource for undergraduate, graduate, and PhD students as well as established researchers.
Mathematical physics --- Chemistry --- Biology --- Electrical engineering --- Computer. Automation --- nanotechniek --- theoretische fysica --- biologie --- chemie --- informatica --- wiskunde --- ingenieurswetenschappen
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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 I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the Conference on Current Trends in Computational Chemistry (CCTCC) to which all authors have participated and contributed to its success. This volume poses (and answered) important questions of interest to the computational chemistry community and beyond. What is the historical background of the Structural Chemistry ? Is there any way to avoid the problem of intruder state in the multi-reference formulation? What is the recent progress on multi-reference coupled cluster theory? Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, multireference state-specific coupled cluster theory, relativistic effect in chemistry, linear and nonlinear optical properties of molecules, solution to Kohn-Sham problem, electronic structure of solid state materials, development of model core potential, quantum Monte Carlo method, nano and molecular electronics, dynamics of photodimerization and excited states, intermolecular interactions, hydrogen bonding and non-hydrogen bonding interactions, conformational flexibility, metal cations in zeolite catalyst and interaction of nucleic acid bases with minerals. 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 problem of chemical and physical importance. This book will provide valuable information to undergraduate, graduate, and PhD students as well as to established researchers.
Mathematical physics --- Chemistry --- Computer. Automation --- theoretische fysica --- chemie --- informatica
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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 ï³-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
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This volume presents a comprehensive overview of theoretical and experimental data on Ultraviolet radiation and low energy electron induced phenomena in nucleic acid fragments. The elucidation of possible mechanisms of these events is important for all living species and hence the technical challenges involved in the exploration of these processes are discussed. This volume will be of particular interest for those involved in understanding the photophysical and photochemical properties of nucleic acid bases, base assemblies, and also model systems related to nucleic acids. The chapter contributions assembled in Radiation Induced Molecular Phenomena in Nucleic Acids are written by theoreticians and experimentalists of international distinction. Radiation Induced Molecular Phenomena in Nucleic Acids will be a useful reference to advanced undergraduates, postgraduates, academics, and researchers in computational chemistry and physics, physical chemistry, biochemistry, photochemistry, biophysics, molecular biology, materials science, and those engaged in nucleic acid research.
Nucleic acids --- Photochemistry. --- Analysis.
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