| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A Computational Study of ChairTwist Energy Differences and the ChairChair Conformational Interconversion in Tetrahydro-2H-thiopyran {Thiacyclohexane, Thiane}
|
Fillmore Freeman
|
|
2003
|
14 |
5 |
p. 497-510
14 p.
|
artikel
|
| 2 |
A Computational Study of Chair–Twist Energy Differences and the Chair–Chair Conformational Interconversion in Tetrahydro-2H-thiopyran (Thiacyclohexane, Thiane)
|
Freeman, Fillmore
|
|
2003
|
14 |
5 |
p. 497-510
|
artikel
|
| 3 |
A DFT and MP2 Study on the Molecular Structure and Vibrational Spectra of Halogenosubstituted Phosphoryl and Thiophosphoryl Compounds
|
Yinghong Sheng
|
|
2003
|
14 |
5 |
p. 511-525
15 p.
|
artikel
|
| 4 |
A DFT and MP2 Study on the Molecular Structure and Vibrational Spectra of Halogenosubstituted Phosphoryl and Thiophosphoryl Compounds
|
Sheng, Yinghong
|
|
2003
|
14 |
5 |
p. 511-525
|
artikel
|
| 5 |
Book Reviews
|
Magdolna Hargittai
|
|
2003
|
14 |
5 |
p. 535-536
2 p.
|
artikel
|
| 6 |
Book Reviews
|
Hargittai, Magdolna
|
|
2003
|
14 |
5 |
p. 535-536
|
artikel
|
| 7 |
Computational Study of Endohedral IrSi9 Isomers
|
F. Hagelberg
|
|
2003
|
14 |
5 |
p. 487-496
10 p.
|
artikel
|
| 8 |
Computational Study of Endohedral IrSi9+ Isomers
|
Hagelberg, F.
|
|
2003
|
14 |
5 |
p. 487-496
|
artikel
|
| 9 |
Density Functional Tight-Binding Studies of Carbon Nanotube Structures
|
Zenaida Peralta-Inga
|
|
2003
|
14 |
5 |
p. 431-443
13 p.
|
artikel
|
| 10 |
Density Functional Tight-Binding Studies of Carbon Nanotube Structures
|
Peralta-Inga, Zenaida
|
|
2003
|
14 |
5 |
p. 431-443
|
artikel
|
| 11 |
Driven Chain Macromolecule in a Heterogeneous Membrane-Like Medium
|
R. B. Pandey
|
|
2003
|
14 |
5 |
p. 445-449
5 p.
|
artikel
|
| 12 |
Driven Chain Macromolecule in a Heterogeneous Membrane-Like Medium
|
Pandey, R. B.
|
|
2003
|
14 |
5 |
p. 445-449
|
artikel
|
| 13 |
Model Calculations of Radiation-Induced Damage in Thymine Derivatives
|
David Close
|
|
2003
|
14 |
5 |
p. 451-454
4 p.
|
artikel
|
| 14 |
Model Calculations of Radiation-Induced Damage in Thymine Derivatives
|
Close, David
|
|
2003
|
14 |
5 |
p. 451-454
|
artikel
|
| 15 |
Molecular Modeling of SteroidNucleoside Conjugates A Preliminary Structural Study
|
Jesse Edwards
|
|
2003
|
14 |
5 |
p. 467-478
12 p.
|
artikel
|
| 16 |
Molecular Modeling of Steroid–Nucleoside Conjugates: A Preliminary Structural Study
|
Edwards, Jesse
|
|
2003
|
14 |
5 |
p. 467-478
|
artikel
|
| 17 |
Preface Computational Chemistry
|
Jerzy Leszczynski
|
|
2003
|
14 |
5 |
p. 429-429
1 p.
|
artikel
|
| 18 |
Preface: Computational Chemistry
|
Leszczynski, Jerzy
|
|
2003
|
14 |
5 |
p. 429
|
artikel
|
| 19 |
Quantum Mechanical Study of the Syn and Anti Conformations of Solvated Cyclic GMP
|
E. A. Salter
|
|
2003
|
14 |
5 |
p. 527-533
7 p.
|
artikel
|
| 20 |
Quantum Mechanical Study of the Syn and Anti Conformations of Solvated Cyclic GMP
|
Salter, E. A.
|
|
2003
|
14 |
5 |
p. 527-533
|
artikel
|
| 21 |
Slow Li He Collisions A Molecular State Treatment
|
Bidhan C. Saha
|
|
2003
|
14 |
5 |
p. 455-465
11 p.
|
artikel
|
| 22 |
Slow Li + He Collisions: A Molecular State Treatment
|
Saha, Bidhan C.
|
|
2003
|
14 |
5 |
p. 455-465
|
artikel
|
| 23 |
Study of the Influence of the Nature and Position of the Halogen Atom in the N-Halogenophenyl-2,5-dimethylpyrrole Upon the Vibrational {Hyper}polarizability Theoretical Study
|
Amar Saal
|
|
2003
|
14 |
5 |
p. 479-485
7 p.
|
artikel
|
| 24 |
Study of the Influence of the Nature and Position of the Halogen Atom in the N-Halogenophenyl-2,5-dimethylpyrrole Upon the Vibrational (Hyper)polarizability: Theoretical Study
|
Saal, Amar
|
|
2003
|
14 |
5 |
p. 479-485
|
artikel
|
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