Arama Sonuçları - "quantum chemistry"

Quantum chemistry: A concise introduction for students of physics, chemistry, biochemistry and materials science / Yazar: Thakkar, Ajit J.

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Frontiers of Quantum Chemistry

İçindekiler: “…Rigorous and Empirical Approaches to Correlated Single Particle Theories -- Circular Dichroism Spectroscopy with the SAC-CI Methodology: A ChiraSac Study -- Frontiers of Coupled Cluster Chiroptical Response Theory -- Response Theory and Molecular Properties -- Response Properties of Periodic Materials Subjected to External Electric and Magnetic  Fields -- Quantum Chemical Methods for Predicting and Interpreting Second-Order Nonlinear Optical Properties: from Small to Extended p-conjugated Molecules -- Embedding Methods in Quantum Chemistry -- Calculation of Vibrational Spectra of Large Molecules from their Fragments -- Describing Molecules in Motion by Quantum Many-Body Methods -- Relativistic Time-Dependent Density-Functional Theory for Molecular Properties -- Warming Up Density Functional Theory -- Toward a Quantum Chemical Description of Molecular Properties and Chemical Reactions at Extreme Condition of Pressure -- Transition States of Spin-Crossing Reactions from Organometallics to Biomolecular Excited  States -- Electron Communications and Chemical Bonds -- Molecular Dynamics Simulations of Vibrational Spectra of Hydrogen-Bonded Systems -- Nuclear Quantum Effect and H/D Isotope Effect on Hydrogen-Bonded Systems with Path Integral Simulation -- Vibrational Linear and Nonlinear Optical Properties: Theory, Methods and Application -- Ab Initio Molecular Dynamics Study on Photoisomerization Reactions: Applications to Azobenzene and Stilbene -- Density Functional Theoretical Studies on Chemical Enhancement of Surface-Enhanced Raman Spectroscopy in Electrochemical Interfaces -- Quantum Chemistry Studies of Overtones and Combinations.…”
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Handbook of Relativistic Quantum Chemistry

İçindekiler: “…From the Contents: Introduction to Relativistic Quantum Chemistry -- Introduction to Quantum Electrodynamics -- Relativistic Hamiltonians -- Relativistic Wave Functions -- Relativistic Quantum Chemical Methods -- Applications of Relativistic Quantum Chemical Methods.…”
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Kuantum kimyası / Yazar: McQuarrie, Donald A.

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Kuantum kimyası / Yazar: Köksal, Fevzi

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Kuantum kimyası / Yazar: Çınar, Zekiye

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Molecular quantum mechanics / Peter Atkins, Ronald Friedman. Yazar: Atkins, P. W.

Konular: “…Quantum Chemistry. 27062…”
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The quantum in chemistry : an experimentalist's view / Yazar: Grinter, Roger

Konular: “…Quantum chemistry. 27062…”
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Density functional theory : a practical introduction / Yazar: Sholl, David S.

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Absolutely small : how quantum theory explains our everyday world / Yazar: Fayer, Michael D.

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Kuantum kimyası ve fiziğinde problemler ve çözümleri / Yazar: Köksal, Fevzi

Konular: “…Quantum chemistry Problems, exercises, etc. 61222…”
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Electronic Properties of Organic Conductors Yazar: Mori, Takehiko

İçindekiler: “…Quantum Chemistry of Molecules -- Quantum Chemistry of Solids -- Transport Properties -- Magnetism -- Electron Correlation -- Superconductivity -- Charge-Transfer Complexes -- Organic Semiconductors.…”
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Concepts, Methods and Applications of Quantum Systems in Chemistry and Physics Selected proceedings of QSCP-XXI (Vancouver, BC, Canada, July 2016) /

İçindekiler: “…Quantum Chemistry Methodology -- Molecular Structure and Dynamics -- Biochemistry and Biophysics -- Fundamental Theory.…”
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Photophysics and Photochemistry of a BODIPY‐Based Photosensitizer Quantumchemical Simulations / Yazar: Ziems, Karl Michael

İçindekiler: “…Theoretical Background of Quantum Chemistry -- Computational Details -- Results for Heavy Atom Mechanism -- Results for Chemical Reduction Mechanism.…”
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Many-Body Methods for Atoms, Molecules and Clusters Yazar: Schirmer, Jochen

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Structural Chemistry Principles, Methods, and Case Studies / Yazar: Putz, Mihai V., Cimpoesu, Fanica, Ferbinteanu, Marilena

İçindekiler: “…Atomic Structure and Quantum Mechanics -- Wave Function Theories and Electron Structure Methods. Quantum Chemistry, from Atoms to Molecules -- Density Functional Theory: from conceptual level towards practical functionality -- Bond! …”
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Quantum Chemical Approach for Organic Ferromagnetic Material Design Yazar: Aoki, Yuriko, Orimoto, Yuuichi, Imamura, Akira

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Variational Methods in Molecular Modeling

İçindekiler: “…Variational Methods in Statistical Thermodynamics - A Pedagogical Introduction -- Square-Gradient Models for Inhomogeneous Many-body Systems -- Classical Density Functional Theory for Molecular Systems -- Classical Density Functional Theory of Polymeric Fluids and Ionic Liquids -- Variational Perturbation Theory for Electrolyte Solutions -- Self-Consistent-Field Theory of Inhomogeneous Polymeric Systems -- Variational Methods for Biomolecular Modeling -- A Theoretician's Approach to Nematic Liquid Crystals and Their Applications -- Dynamical Density Functional Theory for Brownian Dynamics of Colloidal Particles -- Introduction to the Variational Monte Carlo Method in Quantum Chemistry and Physics.…”
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The Quantum Gamble Yazar: Boeyens, Jan C. A.

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Photochemistry A Modern Theoretical Perspective / Yazar: Persico, Maurizio, Granucci, Giovanni

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