JuLib | Articles & more - {"Jones, G. J."}

1

Density functional calculations and the parameterization of force fields

Jones, G. J.
2005

“...Jones, G. J....”

2

Simulations using density functional based classical force fields-liquid-liquid phase transitions in sulphur and phosphorus

Jones, G. J.
2005

“...Jones, G. J....”

3

Contribution to a book
Contribution to a conference proceedings

A density functional/Monte Carlo study

Jones, G. J.
2005

“...Jones, G. J....”

4

Contribution to a book
Contribution to a conference proceedings

Ring-opening polymerization and branching in polycarbonates: a density functional/Monte Carlo study

Jones, G. J.
2005

“...Jones, G. J....”

5

Conference Presentation

Hydrolysis and Crystal Structure of ATP: a density functional study

Akola, J.
2004

“...Jones, G. J....”

6

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

“...Jones, G. J....”
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7

Talk (non-conference)

Density functional calculations and force fields - present status and outlook

Jones, G. J.
2004

“...Jones, G. J....”

8

Talk (non-conference)

Computations for complex systems - the smallest C nanotube, hydrolysis of ATP, minerals, and phase transitions

Jones, G. J.
2004

“...Jones, G. J....”

9

Talk (non-conference)

Computations for complex systems - the smallest C nanotube, hydrolysis of ATP, minerals, and phase transitions

Jones, G. J.
2004

“...Jones, G. J....”

10

Conference Presentation

Liquid-liquid phase transitions in phosphorus: Insight from simulations

Jones, G. J.
2004

“...Jones, G. J....”

11

Talk (non-conference)

Dichtefunktionalrechnungen für Materialforschung und Biologie: Wo sind die Grenzen? Wie können wir sie erweitern?

Jones, G. J.
2004

“...Jones, G. J....”

12

Talk (non-conference)

Carbon clusters and nanotubes - what can theory tell us about their structures?

Jones, G. J.
2004

“...Jones, G. J....”

13

Conference Presentation

Equilibrium polymerization of sulphur and phosphorus

Jones, G. J.
2004

“...Jones, G. J....”

14

Talk (non-conference)

Polymeric states of liquid phoshorus - MC calculations with a DF-bases force field

Jones, G. J.
2004

“...Jones, G. J....”

15

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

“...Jones, G. J....”
OpenAccess

16

Journal Article

Smallest carbon nanotube is 3 A in diameter

Zhao, X.
2004

Physical review letters, 92 (2004) S. 125502

“...Jones, G. J....”
OpenAccess

17

Journal Article

Calculation and prediction of molecular structures and reaction paths

Jones, G. J.
2003

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

“...Jones, G. J....”
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18

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

“...Jones, G. J....”
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19

Journal Article

ATP hydrolysis in water: a density functional study

Akola, J.
2003

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

“...Jones, G. J....”
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20

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

“...Jones, G. J....”
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