MindMap Gallery Experimental Techniques in Quantum Chemistry
This mind map showcases experimental techniques in quantum chemistry, including spectroscopic methods such as infrared, ultraviolet, and nuclear magnetic resonance spectroscopy, the application of mass spectrometry in molecular mass determination, and the role of X-ray diffraction in resolving crystal structures.
Edited at 2024-12-10 08:45:00In the introduction section, elastin is a protein that plays a crucial role in the body, endowing tissues with elasticity and toughness. Its properties include high elasticity and good ductility. Elastin has a wide range of sources and is commonly found in animal connective tissues such as skin and blood vessels. When using elastin in products, the amount and method of addition should be determined based on the characteristics of the product. It has many uses and can be added to skincare products to enhance skin elasticity and reduce wrinkles; Improving food texture and enhancing taste in the food industry; In the medical field, it can be used to make elastic scaffolds such as artificial blood vessels, providing support for tissue repair. Reasonable use can play its unique value.
This document aims to guide the proper use of proteins. Proteins are the fundamental substances that make up life and are essential for maintaining normal physiological functions in the body, with a wide variety of types. When using protein, daily diet is an important source, such as meat, eggs, etc., which are rich in high-quality protein. Measuring protein intake can be done using professional tools or methods to ensure that the intake meets the body's needs. When mixing protein powder, it should be prepared according to the recommended ratio, and the water temperature should not be too high to avoid damaging the protein activity. Different groups of people have different protein requirements, such as athletes and fitness enthusiasts who can increase their intake appropriately to meet the needs of body repair and muscle growth.
Introduction to Unsaturated Polyester Resin: It is an important thermosetting resin with various excellent properties. It has a wide range of applications and is used in the construction industry to produce fiberglass products such as doors, windows, decorative panels, etc; Used in the automotive industry for manufacturing body components. The advantages of use include simple molding process, low cost, and chemical corrosion resistance. However, it also faces challenges and limitations, such as relatively poor heat resistance and susceptibility to aging. During use, corresponding protective measures should be taken according to specific application scenarios, such as adding heat-resistant agents, antioxidants, etc., to extend their service life and fully leverage their advantages.
In the introduction section, elastin is a protein that plays a crucial role in the body, endowing tissues with elasticity and toughness. Its properties include high elasticity and good ductility. Elastin has a wide range of sources and is commonly found in animal connective tissues such as skin and blood vessels. When using elastin in products, the amount and method of addition should be determined based on the characteristics of the product. It has many uses and can be added to skincare products to enhance skin elasticity and reduce wrinkles; Improving food texture and enhancing taste in the food industry; In the medical field, it can be used to make elastic scaffolds such as artificial blood vessels, providing support for tissue repair. Reasonable use can play its unique value.
This document aims to guide the proper use of proteins. Proteins are the fundamental substances that make up life and are essential for maintaining normal physiological functions in the body, with a wide variety of types. When using protein, daily diet is an important source, such as meat, eggs, etc., which are rich in high-quality protein. Measuring protein intake can be done using professional tools or methods to ensure that the intake meets the body's needs. When mixing protein powder, it should be prepared according to the recommended ratio, and the water temperature should not be too high to avoid damaging the protein activity. Different groups of people have different protein requirements, such as athletes and fitness enthusiasts who can increase their intake appropriately to meet the needs of body repair and muscle growth.
Introduction to Unsaturated Polyester Resin: It is an important thermosetting resin with various excellent properties. It has a wide range of applications and is used in the construction industry to produce fiberglass products such as doors, windows, decorative panels, etc; Used in the automotive industry for manufacturing body components. The advantages of use include simple molding process, low cost, and chemical corrosion resistance. However, it also faces challenges and limitations, such as relatively poor heat resistance and susceptibility to aging. During use, corresponding protective measures should be taken according to specific application scenarios, such as adding heat-resistant agents, antioxidants, etc., to extend their service life and fully leverage their advantages.
Experimental Techniques in Quantum Chemistry
Spectroscopy
Infrared (IR) Spectroscopy
Molecular Vibrations
Selection Rules
Intensity of Peaks
Instrumentation
Light Sources
Detectors
Nuclear Magnetic Resonance (NMR) Spectroscopy
Principle of NMR
Nuclear Spin
Resonance Frequency
Chemical Shift
Shielding and Deshielding
Reference Standards
Coupling
SpinSpin Coupling
Multiplicity
UltravioletVisible (UVVis) Spectroscopy
Electronic Transitions
ππ* Transitions
nπ* Transitions
BeerLambert Law
Absorbance
Molar Absorptivity
Mass Spectrometry
Ionization Techniques
Electron Ionization (EI)
Fragmentation Patterns
Chemical Ionization (CI)
Soft Ionization
Mass Analyzers
TimeofFlight (TOF)
Flight Tube
Pulse Extraction
Quadrupole Mass Filter
RF and DC Fields
Mass Selection
Tandem Mass Spectrometry (MS/MS)
CollisionInduced Dissociation (CID)
Fragmentation Mechanisms
Applications
Structural Elucidation
Quantification
Xray Crystallography
Diffraction Theory
Bragg's Law
Crystal Planes
Wavelength and Angle
Intensity of Diffracted Beams
Structure Factors
Phase Problem
Data Collection
Single Crystal Methods
Goniometer
Xray Source
Powder Diffraction
DebyeScherrer Method
Rietveld Refinement
Structure Determination
Phase Determination
Patterson Methods
Direct Methods
Refinement
Least Squares
RFactors
Microwave Spectroscopy
Rotational Transitions
Selection Rules
Rotational Constants
Molecular Structure
Bond Lengths
Bond Angles
Instrumentation
Microwave Generators
Detection Systems
Photoelectron Spectroscopy (PES)
Ionization Energies
Koopmans' Theorem
Vibrational Fine Structure
Experimental Setup
Xray or UV Light Source
Electron Energy Analyzer
Applications
Valence Band Studies
Core Level Spectroscopy
Electron Spin Resonance (ESR)
Spin Interactions
Hyperfine Coupling
gFactor
Instrumentation
Microwave Bridge
Magnet and Modulation
Biological and Material Applications
Radical Species Identification
Spin Probes in Biomolecules
Laser Spectroscopy
Principles of Laser Action
Population Inversion
Stimulated Emission
Types of Lasers
Gas Lasers
HeliumNeon
Argon Ion
SolidState Lasers
Nd:YAG
Semiconductor Lasers
Spectroscopic Techniques
Laser Induced Fluorescence (LIF)
Fluorescence Spectra
Coherent AntiStokes Raman Scattering (CARS)
Nonlinear Raman Spectroscopy
Computational Methods
Quantum Mechanical Methods
Ab Initio Methods
HartreeFock
PostHartreeFock
Density Functional Theory (DFT)
ExchangeCorrelation Functionals
Molecular Dynamics (MD)
Classical MD
Force Fields
Trajectory Simulations
Ab Initio MD
CarParrinello Method
BornOppenheimer MD
Spectroscopic Simulations
Vibrational Spectra
Infrared and Raman
Electronic Spectra
TimeDependent DFT
Excited State Calculations