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Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Volume 1 / 1962 - Volume 131 / 2012

Volume 115, Number 5 / May 2006

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Volume 131
- [9]Number 3 / March 2012
- [32]Number 2 / February 2012
- [20]Number 1 / January 2012
Volume 130
- 571-1273Numbers 4-6 / December 2011
- 129-570Numbers 2-3 / October 2011
- 1-127Number 1 / September 2011
Volume 129
- 727-857Number 6 / August 2011
- 271-725Numbers 3-5 / June 2011
- 131-270Number 2 / May 2011
- 1-129Number 1 / May 2011
Volume 128
- 389-833Numbers 4-6 / March 2011
- 275-388Number 3 / February 2011
- 147-274Number 2 / January 2011
- 1-146Number 1 / January 2011
Volume 127
- 429-763Numbers 5-6 / November 2010
- 259-427Number 4 / November 2010
- 109-257Number 3 / October 2010
- 1-108Numbers 1-2 / September 2010
Volume 126
- 289-385Numbers 5-6 / August 2010
- 99-287Numbers 3-4 / June 2010
- 1-98Numbers 1-2 / May 2010
Volume 125
- 101-669Numbers 3-6 / March 2010
- 1-100Numbers 1-2 / January 2010
Volume 124
- 303-460Numbers 5-6 / November 2009
- 151-301Numbers 3-4 / October 2009
- 1-150Numbers 1-2 / September 2009
Volume 123
- 375-525Numbers 5-6 / August 2009
- 157-373Numbers 3-4 / June 2009
- 1-156Numbers 1-2 / May 2009
Volume 122
- 227-332Numbers 5-6 / April 2009
- 119-226Numbers 3-4 / March 2009
- 1-118Numbers 1-2 / January 2009
Volume 121
- 219-326Numbers 5-6 / December 2008
- 109-218Numbers 3-4 / October 2008
- 1-107Numbers 1-2 / September 2008
Volume 120
- 321-597Numbers 4-6 / July 2008
- 1-320Numbers 1-3 / May 2008
Volume 119
- 413-525Numbers 5-6 / April 2008
- 297-411Number 4 / March 2008
- 1-296Numbers 1-3 / January 2008
Volume 118
- 827-979Numbers 5-6 / December 2007
- 739-826Number 4 / October 2007
- 449-738Number 3 / September 2007
- 281-448Number 2 / August 2007
- 1-279Number 1 / July 2007
Volume 117
- 599-1152Numbers 5-6 / May 2007
- 467-597Number 4 / April 2007
- 333-465Number 3 / March 2007
- 183-332Number 2 / February 2007
- 1-181Number 1 / January 2007
Volume 116
- 383-733Numbers 4-5 / September 2006
- 1-382Numbers 1-3 / August 2006
Volume 115
- 343-459Number 5 / May 2006
- 205-342Number 4 / April 2006
- 75-203Numbers 2-3 / March 2006
- 1-74Number 1 / January 2006
Volume 114
- 253-386Numbers 4-5 / October 2005
- 1-252Numbers 1-3 / September 2005
Volume 113
- 249-294Number 5 / June 2005
- 197-247Number 4 / May 2005
- 133-196Number 3 / April 2005
- 69-132Number 2 / March 2005
- 1-68Number 1 / February 2005
Volume 112
- 349-459Numbers 5-6 / December 2004
- 179-348Number 4 / September 2004
- 113-178Number 3 / July 2004
- 59-112Number 2 / May 2004
- 1-57Number 1 / April 2004
Volume 111
- 57-421Numbers 2-6 / March 2004
- 1-56Number 1 / February 2004
Volume 110
- 359-472Number 6 / December 2003
- 291-358Number 5 / December 2003
- 233-289Number 4 / November 2003
- 115-232Number 3 / October 2003
- 49-114Number 2 / September 2003
- 1-47Number 1 / August 2003
Volume 109
- 285-342Number 6 / July 2003
- 239-284Number 5 / June 2003
- 169-238Number 4 / May 2003
- 99-168Number 3 / April 2003
- 53-98Number 2 / March 2003
- 1-52Number 1 / February 2003
Volume 108
- 313-368Number 6 / December 2002
- 255-311Number 5 / November 2002
- 187-253Number 4 / October 2002
- 125-186Number 3 / October 2002
- 61-123Number 2 / August 2002
- 1-60Number 1 / July 2002
Volume 107
- 319-384Number 6 / June 2002
- 253-318Number 5 / May 2002
- 187-251Number 4 / April 2002
- 117-186Number 3 / March 2002
- 57-116Number 2 / February 2002
- 1-55Number 1 / December 2001
Volume 106
- 379-438Number 6 / November 2001
- 319-378Number 5 / October 2001
- 237-318Number 4 / September 2001
- 163-236Number 3 / July 2001
- 1-162Numbers 1-2 / June 2001
Volume 105
- 401-480Number 6 / May 2001
- 269-399Numbers 4-5 / April 2001
- 173-267Number 3 / January 2001
- 101-172Number 2 / December 2000
- 1-99Number 1 / November 2000
Volume 104
- 417-506Number 6 / September 2000
- 335-416Number 5 / August 2000
- 173-334Numbers 3-4 / July 2000
- 89-171Number 2 / June 2000
- 1-88Number 1 / May 2000
Volume 103
- 445-523Number 6 / April 2000
- 365-443Number 5 / March 2000
- 167-363Numbers 3-4 / February 2000
- 87-166Number 2 / December 1999
- 1-85Number 1 / November 1999
Volume 102
- 3-400Numbers 1-6 / June 1999
Volume 101
- 365-439Number 6 / May 1999
- 311-363Number 5 / April 1999
- 247-309Number 4 / March 1999
- 1-245Numbers 1-3 / February 1999
Volume 100
- 265-338Numbers 5-6 / December 1998
- 1-263Numbers 1-4 / November 1998
Volume 99
- 357-428Number 6 / November 1998
- 279-356Number 5 / September 1998
- 209-276Number 4 / July 1998
- 143-208Number 3 / May 1998
- 71-140Number 2 / April 1998
- 1-70Number 1 / February 1998
Volume 98
- 155-211Number 4 / January 1998
- 65-153Numbers 2-3 / December 1997
- 1-63Number 1 / October 1997
Volume 97
- 3-349Numbers 1-4 / October 1997
Volume 96
- 213-276Number 4 / May 1997
- 141-211Number 3 / August 1997
- 71-139Number 2 / July 1997
- 2-70Number 1 / April 1997
Volume 95
- 151-241Numbers 5-6 / March 1997
- 63-130Numbers 3-4 / March 1997
- 1-62Numbers 1-2 / January 1997
- 1-62Number 1 / January 1997

Archival Content

About This Journal

Title

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Coverage

Volume 1 / 1962 - Volume 131 / 2012

Collection

Chemistry and Materials Science

Subjects

ISSN

1432-881X (Print)
1432-2234 (Online)

Additional Links

Publisher

Springer Berlin / Heidelberg

SpringerLink Date

Friday, April 05, 2002

343-347
Regular Article
Assignment of the First Photoelectron Band of CH₃CHBr(X²A) Using Ab-initio and Density Functional Theory (DFT) Computational Calculations
M. H. N. Zamanpour and G. Ebrahimzadeh
- Download PDF (104.6 KB)
348-353
Regular Article
On the nature of oxoiron (IV) intermediate in dioxygen activation by non-heme enzymes
Alexander V. Nemukhin, Igor A. Topol, Raul E. Cachau and Stanley K. Burt
- Download PDF (214.0 KB)
354-360
Regular Article
Analytical Hartree–Fock gradients with respect to the cell parameter: systems periodic in one and two dimensions
K. Doll, R. Dovesi and R. Orlando
- Download PDF (130.7 KB)
361-369
Regular Article
Structural and Electronic Characterization of Antioxidants from Marine Organisms
Marcella Belcastro, Tiziana Marino, Nino Russo and Marirosa Toscano
370-378
Regular Article
Information Theory, the Shape Function, and the Hirshfeld Atom
Paul W. Ayers
- Download PDF (170.7 KB)
379-384
Regular Article
Theoretical Study of Sticking Processes on Molecular Models of Silica Surfaces
G. Berthier, R. Savinelli, C. Adamo and I. Ciofini
- Download PDF (210.8 KB)
385-390
Regular Article
Gradients of the Exchange-repulsion Energy in the General Effective Fragment Potential Method
Hui Li and Mark S. Gordon
- Download PDF (145.6 KB)
391-397
Regular Article
Direct calculation of Henry’s law constants from Gibbs ensemble Monte Carlo simulations: nitrogen, oxygen, carbon dioxide and methane in ethanol
Ling Zhang and J. Ilja. Siepmann
- Download PDF (133.5 KB)
398-409
Regular Article
Systematic Sequences of Geometric Relativistic Basis Sets. I:s- and p-Block Elements up to Xe
André Severo Pereira Gomes, Rogério Custodio and Lucas Visscher
410-426
Regular Article
Structure and Stability of Isomers of the Promising Interstellar Molecule PC₃O
Yang Liu, Xu-Ri Huang, Guang-Tao Yu, Hui-Ling Liu and Chia-Chung Sun
- Download PDF (1.8 MB)
427-433
Regular Article
Conformational Analysis of 2,2′-bifuran: Correlated High-level Ab initio and DFT Results
J. C. Sancho-García and A. Karpfen
- Download PDF (141.3 KB)
434-440
Regular Article
CO₂ Activation by Zr⁺ and ZrO⁺ in Gas Phase
F. Rondinelli, N. Russo and M. Toscano
- Download PDF (163.9 KB)
441-447
Regular Article
Relativistic Quadruple-Zeta and Revised Triple-Zeta and Double-Zeta Basis Sets for the 4p, 5p, and 6p Elements
Kenneth G. Dyall
- Download PDF (104.4 KB)
448-459
Regular Article
The Silicon Carbonyls Revisited: On the Existence of a Planar Si(CO)₄
P. Belanzoni, G. Giorgi, G. F. Cerofolini and A. Sgamellotti
- Download PDF (351.6 KB)

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