electronic structure calculations - Globe Thesis

Keyword [electronic structure calculations] Result: 1 - 20 \| Page: 1 of 2
1.	Electronic Structure Calculations On Bi₂Te₃-and Ca₃Co₂O₆-based Thermoelectric Materials, Preparation Of Thermoelectric Ceramics
2.	Aldol Catalytic Condensation And Spontaneous Combustion Of Coal, The Initial Reaction Mechanism As Well As Some Copper Complexes Of Hydrazone Class Of Electronic Structure Calculations
3.	Conformational Properties Of Poly(vinyl Fluoride) Based Upon Ab Initio Electronic Structure Calculations
4.	Study On Pitting Behavior Of Domestic Ultra - Pure Ferritic Stainless Steel In Cl ~ - Environment
5.	Two-dimensional Materials Design Based On Structure Evolution Algorithm And Electronic Structure Calculations
6.	Linear-scaling methodology in large-scale ab initio electronic structure calculations and applications in biological studies
7.	Slow photoelectron imaging and infrared dissociation spectroscopy of ionic clusters
8.	Electronic structure calculations for dissociative recombination of electron + nitrogen hydride
9.	Statistical learning for alloy design from electronic structure calculations
10.	Electronic structure calculations of bismuth telluride/antimony telluride superlattices for thermoelectric applications
11.	Correction of finite size errors in many-body electronic structure calculations
12.	Electronic structure calculations of double walled carbon nanotubes using local density functional theory
13.	Transition metal and excited state electronic structure calculations employing a localized bonding perspective
14.	Investigation of disulfide bond cleavage, water-cluster cations and phosphorus-oxygen bonds in phosphates using ab initio electronic structure calculations
15.	Electronic structure calculations of the stability of silver ultra-thin films and effects of derivatives on oligomer structures
16.	Multi-edge x-ray absorption spectroscopy and electronic structure calculations of biomimetic model complexes of the H-cluster of [iron-iron]-hydrogenase
17.	Novel theoretical analysis methods and algorithms for classical and ab initio molecular dynamics
18.	Studying conformational polymorphism in pharmaceutical solids using multidimensional solid-state NMR and electronic structure calculations
19.	New methodologies for electronic structure calculations on organic materials
20.	S(1)-S(2) vibronic coupling in hexatriene: Electronic structure calculations
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