661 |
92-1
|
期刊論文
|
Insight into association reactions on metal surfaces: Density-functional theory studies of hydrogenation reactions on Rh(111)
|
662 |
91-2
|
期刊論文
|
Mechanism of linear and non-linear optical effects in KDP and urea crystals
|
663 |
86-2
|
期刊論文
|
Pressure-induced change of the stereochemical activity of lone electron pair
|
664 |
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
|
665 |
85-1
|
期刊論文
|
Site symmetry dependence of repulsive interactions between chemisorbed oxygen atoms on Pt{100}-(1×1)
|
666 |
94-1
|
期刊論文
|
The mechanism of linear and nonlinear optical effects in fluoride crystals
|
667 |
85-2
|
期刊論文
|
The GaAs(001)-(2x4) surface : structure, chemistry, and adsorbates
|
668 |
84-2
|
期刊論文
|
On the accuracy of the total energy pseudopotential scheme applied to small molecules
|
669 |
94-1
|
期刊論文
|
New infrared nonlinear optical crystal CsGeBr3 : Synthesis, structure and powder second-harmonic generation properties
|
670 |
92-1
|
期刊論文
|
Cation substitution effects on structural, electronic and optical properties of nonlinear optical AgGa(SxSe1-x)2 crystals
|
671 |
90-1
|
期刊論文
|
Ab initio study of the structural and optical properties of orthorhombic ternary nitride crystals
|
672 |
93-1
|
期刊論文
|
Band gap modification of single-walled carbon nanotube and boron nitride nanotube under a transverse electric field
|
673 |
92-2
|
期刊論文
|
Dependence of workfunction on the geometries of single-walled carbon nanotubes
|
674 |
95-1
|
期刊論文
|
Electro-optical modulation for a boron nitride nanotube probed by first-principles calculations
|
675 |
91-2
|
期刊論文
|
Density-Functional-Theory Calculation of Semiconducting Carbon Nanotubes under an External Electric Field
|