Arama Sonuçları - "computational chemistry"
Önerilen Konular
Önerilen Konular
- Chemistry, Physical and theoretical 18
- Theoretical Chemistry 18
- Chemistry 15
- Computational Chemistry 15
- Data processing 15
- Physical Chemistry 11
- Physical chemistry 11
- Chemometrics 5
- Mathematical Applications in Chemistry 5
- Bioinformatics 4
- Computational and Systems Biology 4
- Analysis 3
- Characterization and Analytical Technique 3
- Electrochemistry 3
- Materials 3
- Medicinal Chemistry 3
- Medicinal chemistry 3
- Quantum Physics 3
- Quantum physics 3
- Spectroscopy 3
- Spectrum analysis 3
- Analytical Chemistry 2
- Analytical chemistry 2
- Atomic and Molecular Structure and Properties 2
- Atomic structure 2
- Bioorganic Chemistry 2
- Bioorganic chemistry 2
- Catalysis 2
- Chemistry, Technical 2
- Environmental Chemistry 2
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1
Computational Chemistry Introduction to the Theory and Applications of Molecular and Quantum Mechanics /
Baskı/Yayın Bilgisi 2016İçindekiler: “…An Outline of What Computational Chemistry is All About -- 2. The Concept of the Potential Energy Surface -- 3. …”
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2
Quantum Computational Chemistry Modelling and Calculation for Functional Materials /
Baskı/Yayın Bilgisi 2018Full-text access
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3
Handbook of Computational Chemistry
Baskı/Yayın Bilgisi 2017İçindekiler: “…From the Contents: From Quantum Theory to Computational Chemistry -- Exceptional status of chemistry -- The Position of the Clamped Nuclei Electronic Hamiltonian in Quantum Mechanics -- Remarks on Wave Function Theory and Methods.…”
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4
Practical Aspects of Computational Chemistry IV
Baskı/Yayın Bilgisi 2016Full-text access
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5
Transition Metals in Coordination Environments Computational Chemistry and Catalysis Viewpoints /
Baskı/Yayın Bilgisi 2019İçindekiler: “…From the content: Review of the current status of knowledge in the field of recent achievements in computational modeling and their interplay with experiment -- Density matrix renormalization group (DMRG): An emerging method in bioinorganic chemistry -- Approaching magnetic interactions in oligonuclear transition metal clusters with density matrix renormalization group -- New strategies in modelling electronic structures and properties in actinides -- X-ray probes of electronic structure in transition metal complexes -- Electronic spectroscopy of cobalamins studied with density functional theory -- Spin magnetic properties of transition metal complexes -- Computational studies of transition-metal catalysis in biological and non-biological settings -- The role of non-covalent interactions in metal complexes -- Molecular electrochemistry of coordination compounds - a correlation between quantum-chemical calculations and experiment -- Computational modelling of structure and catalytic properties of supported group VI transition metal oxide species -- Catalytic properties of TM in inorganic coordination environments -- Challenges in modeling metalloenzymes and their troubleshooting -- The quest for accurate theoretical models of metalloenzymes: an aid to experiment -- Metal coordination in the active sites of selected metalloenzymes: a theoretical point of view -- Metal - redox-active ligand cooperation in biomimetic transition metal compounds to exhibit metal-centered multi-electron reactivity -- Computational vs. experimental spectroscopy for transition-metals -- The electronic determinants of spin crossover described by density functional theory -- Photodeactivation channels of transition metal complexes: a computational chemistry perspective.…”
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6
Chemometrics in Electroanalysis
Baskı/Yayın Bilgisi 2019Konular: Full-text access
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7
Computational Modelling of the Human Islet Amyloid Polypeptide
Baskı/Yayın Bilgisi 2016Konular: Full-text access
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8
Highly Accurate Spectroscopic Parameters from Ab Initio Calculations The Interstellar Molecules l-C3H+ and C4 /
Baskı/Yayın Bilgisi 2016Konular: Full-text access
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9
Computer Simulation of Polymeric Materials Applications of the OCTA System /
Baskı/Yayın Bilgisi 2016Konular: Full-text access
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10
Photophysics and Photochemistry of a BODIPY‐Based Photosensitizer Quantumchemical Simulations /
Baskı/Yayın Bilgisi 2019Konular: Full-text access
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11
Advances in Computational Toxicology Methodologies and Applications in Regulatory Science /
Baskı/Yayın Bilgisi 2019Konular: Full-text access
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12
Quantitative Infrared Spectroscopy for Understanding of a Condensed Matter
Baskı/Yayın Bilgisi 2017Konular: Full-text access
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13
Applications of Quantum Dynamics in Chemistry
Baskı/Yayın Bilgisi 2017Konular: Full-text access
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14
Stepping Stones to Synthetic Biology
Baskı/Yayın Bilgisi 2018Konular: Full-text access
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15
Structural Bioinformatics: Applications in Preclinical Drug Discovery Process
Baskı/Yayın Bilgisi 2019Konular: Full-text access
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16
Digital Simulation in Electrochemistry
Baskı/Yayın Bilgisi 2016Konular: Full-text access
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17
Quantum Dynamics and Laser Control for Photochemistry
Baskı/Yayın Bilgisi 2016Konular: Full-text access
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18
Variational Methods in Molecular Modeling
Baskı/Yayın Bilgisi 2017Konular: Full-text access
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19
Process Analysis and Simulation in Chemical Engineering
Baskı/Yayın Bilgisi 2016Konular: Full-text access
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20
Handbook of Satellite Applications
Baskı/Yayın Bilgisi 2017Konular: Full-text access
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