| 661 |
96-2
|
期刊論文
|
Au on (1 1 1) and (1 1 0) surfaces of CeO2: A density-functional theory study
|
| 662 |
95-2
|
期刊論文
|
Surface structures of atomic hydrogen adsorbed on Cu(1 1 1) surface studied by density-functional-theory calculations
|
| 663 |
84-2
|
期刊論文
|
Understanding the ctalytic behavior of zeolites : A first-principles study of the adsorption of methanol
|
| 664 |
87-2
|
期刊論文
|
A density functional theory study on the interaction between chemisorbed CO and S on Rh(111)
|
| 665 |
93-1
|
期刊論文
|
The prospect of beryllium–oxygen group to search for new nonlinear optical crystals
|
| 666 |
75-1
|
期刊論文
|
半透光狹縫的繞射研究
|
| 667 |
91-1
|
期刊論文
|
Mechanism of linear and non-linear optical effects in KBe2BO3F2 (KBBF) Crystal
|
| 668 |
85-2
|
期刊論文
|
Distribution of tetrahedral and octahedral A1 sites in gamma alumina
|
| 669 |
84-1
|
期刊論文
|
Orbital mixing in CO chemisorption on transition metal surfaces
|
| 670 |
89-2
|
期刊論文
|
Calculations for the linear and nonlinear optical coefficients of NaNO2 crystal
|
| 671 |
91-2
|
期刊論文
|
Mechanism for linear and nonlinear optical effects in crystals of the Sr2Be2B2O7 family
|
| 672 |
90-1
|
期刊論文
|
Mechanism for linear and nonlinear optical effects in monoclinic bismuth borate (BiB3O6) crystal
|
| 673 |
90-1
|
期刊論文
|
A density functional theory study of carbon monoxide oxidation on the Cu3Pt(111) alloy surface : Comparison with the reactions on Pt(111) and Cu(111)
|
| 674 |
91-1
|
期刊論文
|
Mechanism for linear and nonlinear optical effects in SrBe3O4 crystal
|
| 675 |
92-2
|
期刊論文
|
Mechanism of linear and nonlinear optical effects of chalcopyrite AgGaX2 (X=S, Se, and Te) crystals
|
| 676 |
92-1
|
期刊論文
|
Insight into association reactions on metal surfaces: Density-functional theory studies of hydrogenation reactions on Rh(111)
|
| 677 |
91-2
|
期刊論文
|
Mechanism of linear and non-linear optical effects in KDP and urea crystals
|
| 678 |
86-2
|
期刊論文
|
Pressure-induced change of the stereochemical activity of lone electron pair
|
| 679 |
86-1
|
期刊論文
|
Ab initio diffusional potential energy surface for CO chemisorption on Pd{110} at high coverage: Coupled translation and rotation
|
| 680 |
85-1
|
期刊論文
|
Site symmetry dependence of repulsive interactions between chemisorbed oxygen atoms on Pt{100}-(1×1)
|
| 681 |
94-1
|
期刊論文
|
The mechanism of linear and nonlinear optical effects in fluoride crystals
|
| 682 |
85-2
|
期刊論文
|
The GaAs(001)-(2x4) surface : structure, chemistry, and adsorbates
|
| 683 |
84-2
|
期刊論文
|
On the accuracy of the total energy pseudopotential scheme applied to small molecules
|
| 684 |
94-1
|
期刊論文
|
New infrared nonlinear optical crystal CsGeBr3 : Synthesis, structure and powder second-harmonic generation properties
|
| 685 |
92-1
|
期刊論文
|
Cation substitution effects on structural, electronic and optical properties of nonlinear optical AgGa(SxSe1-x)2 crystals
|
| 686 |
90-1
|
期刊論文
|
Ab initio study of the structural and optical properties of orthorhombic ternary nitride crystals
|
| 687 |
93-1
|
期刊論文
|
Band gap modification of single-walled carbon nanotube and boron nitride nanotube under a transverse electric field
|
| 688 |
92-2
|
期刊論文
|
Dependence of workfunction on the geometries of single-walled carbon nanotubes
|
| 689 |
95-1
|
期刊論文
|
Electro-optical modulation for a boron nitride nanotube probed by first-principles calculations
|
| 690 |
91-2
|
期刊論文
|
Density-Functional-Theory Calculation of Semiconducting Carbon Nanotubes under an External Electric Field
|
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