JuLib | Articles & more - {"Theorie I; IFF-TH-I"}

1

Journal Article

Stability and structure of LinH molecules (n=3-6): Experimental and density functional study

Wu, C. H.
2004

The @journal of chemical physics, 120 (2004) S. 5128 - 5132

“...Theorie I; IFF-TH-I Theorie I...”
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2

Journal Article

Smallest carbon nanotube is 3 A in diameter

Zhao, X.
2004

Physical review letters, 92 (2004) S. 125502

“...Theorie I; IFF-TH-I Theorie I...”
OpenAccess

3

Journal Article

A reactive force field simulation of liquid-liquid phase transitions in phosphorus

Ballone, P.
2004

The @journal of chemical physics, 121 (2004) S. 8147 - 8157

“...Theorie I; IFF-TH-I Theorie I...”
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4

Journal Article

Calculation and prediction of molecular structures and reaction paths

Jones, G. J.
2003

Innovatives Supercomputing in Deutschland, 1 (2003) S. 8 - 9

“...Theorie I; IFF-TH-I Theorie I...”
OpenAccess OpenAccess

5

Journal Article

Carbon species confined inside carbon nanotubes: a density functional study

Liu, Y.
2003

Physical Review B Physical review / B, 68 68 (2003 2003) 12 12, S. 125413 125413

“...Theorie I; IFF-TH-I Theorie I...”
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6

Journal Article

Density functional and Monte Carlo studies of sulfur: II. Equilibrium polymerization in the liquid phase

Jones, G. J.
2003

The @journal of chemical physics, 119 (2003) S. 8704 - 8715

“...Theorie I; IFF-TH-I Theorie I...”
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7

Journal Article

Branching reactions in polycarbonate-a density functional study

Akola, J.
2003

Macromolecules, 36 (2003) S. 1355 - 1360

“...Theorie I; IFF-TH-I Theorie I...”
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8

Journal Article

ATP hydrolysis in water: a density functional study

Akola, J.
2003

The @journal of physical chemistry / B, 107 (2003) S. 11774 - 11783

“...Theorie I; IFF-TH-I Theorie I...”
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9

Journal Article

Density functional and Monte Carlo studies of sulfur: I. Structure and bonding in Sn clusters (n=2-18)

Jones, G. J.
2003

The @journal of chemical physics, 118 (2003) S. 9257 - 9265

“...Theorie I; IFF-TH-I Theorie I...”
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10

Journal Article

Density functional/Monte Carlo study of ring-opening polymerization

Ballone, P.
2002

Computer physics communications, 147 (2002) S. 325 - 330

“...Theorie I; IFF-TH-I Theorie I...”

11

Journal Article

Equilibrium polymerization of cyclic carbonate oligomers II role of multiple active sites

Ballone, P.
2002

The @journal of chemical physics, 116 (2002) S. 7724 - 7732

“...Theorie I; IFF-TH-I Theorie I...”
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12

Journal Article

Equilibrium polymerization of cyclic carbonate oligomers III branching and the gel transition

Ballone, P.
2002

The @journal of chemical physics, 117 (2002) S. 6841 - 6851

“...Theorie I; IFF-TH-I Theorie I...”
OpenAccess

13

Journal Article

Reactions of polycarbonates with cyclohexene oxide and phosphites : a density functional study

Akola, J.
2002

Macromolecules, 35 (2002) S. 2327 - 2334

“...Theorie I; IFF-TH-I Theorie I...”
OpenAccess

14

Journal Article

Density functional calculations for polymers and clusters : progress and limitations

Jones, G. J.
2001

Computational materials science, 22 (2001) S. 1 - 6

“...Theorie I; IFF-TH-I Theorie I...”

15

Journal Article

Si-H clusters, defects, and hydrogenated silicon

Jones, G. J.
2001

Physical review / B, 64 (2001) S. 125203-1 - 125203-9

“...Theorie I; IFF-TH-I Theorie I...”
OpenAccess

16

Journal Article

Equilibrium polymerization of cyclic carbonate oligomers

Ballone, P.
2001

The @journal of chemical physics, 115 (2001) S. 3895 - 3905

“...Theorie I; IFF-TH-I Theorie I...”
OpenAccess

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