Guosen Yan Book by Yang Weitao - Bookswagon UAE
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Guosen Yan

Guosen Yan


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About the Book

A tribute to Guosen Yan.- Iron Carbonyl Thioboronyls: Effect of Substitution of Sulfur for Oxygen in the Viability of Binuclear Complexes towards Dissociation Reactions.- First-Principles Investigations on the Anisotropic Charge Transport in 4,4'-bis((E)-2-(naphthalen-2-yl)vinyl)-1,1'-biphenyl Single Crystal.- DFT and TD-DFT studies on osmacycle dyes with tunable photoelectronic properties for solar cells.- Hemibond complexes between H2S and free radicals (F, Cl, Br, and OH).- Thermal Decomposition of FOX-7 Studied by Ab Initio Molecular Dynamics Simulations.- Adsorption of Water Molecules on Sodium-Chloride Trimer.- Numerical solution of solvent reorganization energy and its application in electron transfer reaction.- Microwave and Infrared Spectra of CO-(pH2)2, CO-(oD2)2, and Mixed CO-pH2-He Trimers.- NO adsorption and transformation on the BaO surfaces from density functional theory calculations.- State-to-state quantum versus classical dynamics study of the OH+CO→H+CO2 reaction in full dimensions (J=0): Checking the validity of the quasiclassical trajectory method.- How the Molecular Face and the Interaction Vary as H atom approach H2 molecule.- A Comparison Study of the H+CH4 and H+SiH4 Reactions with Eight-dimensional Quantum Dynamics: Normal Mode versus Local Mode in the Reactant Molecule Vibration.- Electrostatic Potentials of Camptothecin and its Analogues.- Analysis on a failure of the CC2 coupled-cluster method for bond lengths of SnO and PbO.- The Combined CASPT2 and CASSCF Studies on Photolysis of 3-Thienyldiazomethane and Subsequent Reactions.- Theoretical study on the working mechanism of a reversible light-driven rotary molecular motor.- Mechanism and regioselectivity of the cycloaddition between nitrone and dirhodium vinylcarbene catalyzed by Rh2(O2CH)4: A computational study.-State-to-state quantum dynamics of the N(4S) + C2( 1Σ+) →CN( 2Σ+) + C(3P) reaction quantum dynamics.- Stereoselective Inclusion Mechanism of Ketoprofen into β-Cyclodextrin: Insights from Molecular Dynamics Simulations and Free Energy Calculations.- Testing exchange-correlation functionals at fractional electron numbers.- A new ab initio potential energy surface and infrared spectra for the He-CS2 complex.- Transition between direct gap and indirect gap in two dimensional hydrogenated honeycomb SixGe1-x alloys.


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Product Details
  • ISBN-13: 9783662516690
  • Publisher: Springer
  • Publisher Imprint: Springer
  • Edition: Softcover reprint of the original 1st ed. 2015
  • Language: English
  • Returnable: Y
  • Spine Width: 12 mm
  • Weight: 544 gr
  • ISBN-10: 3662516691
  • Publisher Date: 18 Oct 2016
  • Binding: Paperback
  • Height: 279 mm
  • No of Pages: 209
  • Series Title: Highlights in Theoretical Chemistry
  • Sub Title: A Festschrift from Theoretical Chemistry Accounts
  • Width: 210 mm


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