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Guosen Yan

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Table of Contents

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    Book Overview
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    Chapter 1 A tribute to Guosen Yan
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    Chapter 2 Transition between direct gap and indirect gap in two dimensional hydrogenated honeycomb $$\mathrm{Si}_{x}\mathrm{Ge}_{1-x}$$ alloys
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    Chapter 3 A new ab initio potential energy surface and infrared spectra for the He – CS 2 complex
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    Chapter 4 Testing exchange – correlation functionals at fractional electron numbers
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    Chapter 5 Stereoselective inclusion mechanism of ketoprofen into β -cyclodextrin: insights from molecular dynamics simulations and free energy calculations
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    Chapter 6 State-to-state quantum dynamics of the $$\text{N}(^4\text{S})+\text{C}_2(\tilde{X}^1\Sigma^{+})\;\rightarrow\;\text{CN}(\tilde{X}^{2}\Sigma^{+})+\text{C}(^3\text{P})$$ reaction
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    Chapter 7 Mechanism and regioselectivity of the cycloaddition between nitrone and dirhodium vinylcarbene catalyzed by Rh 2 (O 2 CH) 4 : a computational study
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    Chapter 8 Theoretical study on the working mechanism of a reversible light-driven rotary molecular motor
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    Chapter 9 The combined CASPT2 and CASSCF studies on photolysis of 3-thienyldiazomethane and subsequent reactions
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    Chapter 10 Analysis of a failure of the CC2 coupled-cluster method for bond lengths of SnO and PbO
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    Chapter 11 Electrostatic potentials of camptothecin and its analogues
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    Chapter 12 A comparison study of the H + CH 4 and H + SiH 4 reactions with eight-dimensional quantum dynamics: normal mode versus local mode in the reactant molecule vibration
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    Chapter 13 How the molecular face and the interaction vary as H atom approach H 2 molecule
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    Chapter 14 State-to-state quantum versus classical dynamics study of the OH + CO → H + CO 2 reaction in full dimensions ( J = 0): checking the validity of the quasi-classical trajectory method
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    Chapter 15 NO adsorption and transformation on the BaO surfaces from density functional theory calculations
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    Chapter 16 Microwave and infrared spectra of CO–(pH 2 ) 2 , CO–(oD 2 ) 2 , and mixed CO–pH 2 –He trimers
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    Chapter 17 Numerical solution of solvent reorganization energy and its application in electron transfer reaction
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    Chapter 18 Adsorption of water molecules on sodium chloride trimer
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    Chapter 19 Thermal decomposition of FOX-7 studied by ab initio molecular dynamics simulations
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    Chapter 20 Hemibond complexes between H 2 S and free radicals (F, Cl, Br, and OH)
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    Chapter 21 DFT and TD- DFT studies on osmacycle dyes with tunable photoelectronic properties for solar cells
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    Chapter 22 First-principles investigations on the anisotropic charge transport in 4,4′-bis(( E )-2-(naphthalen-2-yl)vinyl)-1,1′-biphenyl single crystal
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    Chapter 23 Iron carbonyl thioboronyls: effect of substitution of sulfur for oxygen in the viability of binuclear complexes toward dissociation reactions
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Title
Guosen Yan
Published by
Springer, July 2015
DOI 10.1007/978-3-662-47845-5
ISBNs
978-3-66-247845-5, 978-3-66-247844-8
Editors

Guo, Hua, Xie, Daiqian, Yang, Weitao

Mendeley readers

The data shown below were compiled from readership statistics for 1 Mendeley reader of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 1 100%

Demographic breakdown

Readers by professional status Count As %
Student > Master 1 100%
Readers by discipline Count As %
Engineering 1 100%