Core Physical Chemistry

CHEM20212 Core Physical Chemistry 10 Semester 2 Undergraduate Level 2 Samuel Cobb Unit coordinator 1 FHEQ level (Framework for Higher Education Qualifications) ' Middle part of Bachelors ' European Credit Transfer & Accumulation System Rating : 5.0 This course unit detail provides the framework for delivery in 22/23 and may be subject to change due to any additional Covid-19 impact.  Solutions and Electrochemistry - Professor Robert Dryfe (RAWD), (5 weeks, weighted 5/12 course, 5 synchronous workshops)Computational Chemistry - Methods and Applications - Dr Neil Burton (NAB), (4 weeks, weighted 4/12 course, 3 synchronous workshops, 1 practical examples class)Fundamentals of Electronic Structure Theory - Professor Nicholas Chilton, (3 weeks, weighted 3/12 course, 2 synchronous lectures, 3 synchronous workshops) This course unit detail provides the framework for delivery in 22/23 and may be subject to change due to any additional Covid-19 impact.  Please see Blackboard / course unit related emails for any further updates.Solutions and Electrochemistry  • Definition and interrelation of mole fraction, molality, molarity. • Chemical potential: ideal and non-ideal liquid mixtures. • Electrolyte solutions and their non-ideality: the Debye-Huckel Law. • Electrode potentials. • Electrochemical cells and applications.   Computational Chemistry - Methods and Applications • Molecular coordinates, the potential energy surface and stationary points. • Introduction to geometry optimization and conformational analysis. • Molecular mechanics and force-fields. • Quantum chemistry methods: application and approximations (including DFT). • Molecular simulation: classical molecular dynamics and ensemble properties.Fundamentals of Electronic Structure Theory • Introduction to computational chemistry: overview and challenges. • Solutions of hydrogenic atoms: radial and angular wave functions. • Many-electron atoms and electronic states. • Molecular orbital theory:  LCAO and the Hückel method. • Principles of quantum chemistry and the electronic structure of some simple molecules   After attending all lectures and completing the workshop/tutorial work, you will be able to:<ul> <li> Progress your understanding of the core concepts of physical and theoretical chemistry, especially solutions and electrochemistry, electronic structure and computational chemistry</li> <li> To foster related skills in practical physical chemistry.</li>    </ul>     On successful completion of the course students should be able to:  •    describe the thermodynamic principles of solutions and practical applications to electrochemistry using the concepts of physical and theoretical chemistry •    evaluate quantitatively the properties of solutions and electrochemical systems using these concepts •    use basic quantum mechanical principles to explain the electronic structures and properties of multi-electron atoms and molecules •    describe the fundamental principles of common computational methods of quantum chemistry and molecular simulation •    apply these principles along with typical computational chemistry software to evaluate the properties of molecules.   Students should be able to:<ul> <li> Understand the basic thermodynamic principles of solutions and practical applications to electrochemistry.</li> <li> Understand basic quantum mechanical principles to understand the electronic structures and properties of multi-electron atoms and molecules.</li> <li> Understand the fundamental principles of common computational methods of quantum chemistry and molecular simulation.</li></ul> Students should be able to:<ul> <li> Use the concepts of physical and theoretical chemistry to explain the properties of solutions and apply these to electrochemical systems.</li> <li> Use the concepts discussed in the course to apply computational chemistry methods to study chemical structure, properties and reactions.</li></ul> Students should be able to:<ul> <li> apply the relevant theoretical skills in practical physical chemistry</li> <li> apply basic computational chemistry software to study the properties of molecules.</li></ul> Problem solving, numeracy and mathematical and ICT. <ul> <li> Standard 3 blocks of 8 x 1 hour lectures (including 3 x 1 hour workshop/examples class) with supplementary information, including additional notes will be available.</li> <li> Tutorials/workshops/examples classes.</li> <li> Online computer tests will be available in blackboard.</li> <li> Feedback Questions on the lectures, together with worked answers, will be discussed in tutorials/workshops/examples classes.</li></ul> 1 Written exam 100% <ul> <li>Synchronous teaching sessions (workshops)</li> <li>Online quizes</li> <li>Tutorials and Office Hours</li></ul> N https://eu.alma.exlibrisgroup.com/leganto/readinglist/lists/333425155770001631?auth=CASTitle: Atkins' physical chemistry Author: Atkins, P. W. ISBN: 9780198769866 Edition: 11th edition. Total Pages: xxvii, 908 pages : Publication Date: [2017] Publisher: Oxford University Press Place of Publication: OxfordTitle: Electrochemistry Author: Hamann, Carl H. ISBN: 9783527310692 (hbk.) :; 352731069X Edition: 2nd completely rev. and updated ed. Total Pages: xviii, 531 p. : Publication Date: c2007. Publisher: Wiley-VCH Place of Publication: WeinheimTitle: Computational chemistry Author: Harvey, Jeremy, ISBN: 9780192555205; 0192555205 Total Pages: 1 online resource (ix, 139 pages, 1 unnumbered page) : Publication Date: [2018] Publisher: Oxford University Press Place of Publication: Oxford, United KingdomTitle: Computational chemistry Author: Grant, Guy Hamilton. ISBN: 019855740X; 9780198557401 Total Pages: 1 online resource (90 pages) : Publication Date: 1995 Publisher: Oxford University Press Place of Publication: OxfordTitle: Essentials of computational chemistry : theories and models Author: Cramer, Christopher J., ISBN: 9786610269242; 9780470091838 (ebook) Edition: Second edition. Total Pages: 1 online resource (620 pages) Publication Date: ©2004. Publisher: Wiley Place of Publication: Chichester, West Sussex, England ; Hoboken, NJ :; Chichester, West Sussex, England ; Hoboken, NJTitle: Introduction to computational chemistry [electronic resource] Author: Jensen, Frank. ISBN: 1118681622; 1280739916; 9786610739912; 0470011866; 0470058048 Edition: 2nd ed. Total Pages: 1 online resource (621 p.) Publication Date: c2007. Publisher: John Wiley & Sons Place of Publication: Chichester, England ;; Hoboken, NJ Assessment written exam 2 Lectures 24 Tutorials 3 0 71