Works matching IS 1432881X AND DT 2006 AND VI 115 AND IP 1
Results: 11
Cu, Zn Superoxide dismutase: distorted active site binds substrate without significant energetic cost.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2006, v. 115, n. 1, p. 27, doi. 10.1007/s00214-005-0672-x
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- Article
Inner and outer radial density functions in many-electron atoms.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2006, v. 115, n. 1, p. 59, doi. 10.1007/s00214-005-0676-6
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- Article
Graphs to chemical structures 3. General theorems with the use of different sets of sphericity indices for combinatorial enumeration of nonrigid stereoisomers.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2006, v. 115, n. 1, p. 37, doi. 10.1007/s00214-005-0674-8
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- Article
Ionization thresholds and positions of avoided crossing of potassium Stark Rydberg states: a Stark-adapted quantum defect orbital treatment.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2006, v. 115, n. 1, p. 65, doi. 10.1007/s00214-005-0684-6
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- Article
Ab initio studies of small Al<sub>m</sub>Fe<sub>n</sub> clusters.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2006, v. 115, n. 1, p. 32, doi. 10.1007/s00214-005-0669-5
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- Article
Study of thermodynamic parameters in amphiphilic systems by lattice Monte Carlo: effect of tails and heads.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2006, v. 115, n. 1, p. 1, doi. 10.1007/s00214-005-0014-z
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- Article
Binding energies of hydrogen-bonded clusters from extrapolation-oriented basis sets.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2006, v. 115, n. 1, p. 54, doi. 10.1007/s00214-005-0675-7
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- Article
Discrete contributions to static dipole polarizabilities of excited bound states of non-relativistic hydrogen-like atoms.
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- 2006
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- Correction Notice
First principle α-π energy separation.
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- 2006
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- Correction Notice
The basis set superposition error in multilevel methods: a test on the H<sub>2</sub>O and HF dimer.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2006, v. 115, n. 1, p. 18, doi. 10.1007/s00214-005-0069-x
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- Article
Richard L. Liboff: Primer for Point and Space Groups Springer, 2004. 220 pp (ISBN 0-387-40248-9) US $59.95.
- Published in:
- 2006
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- Book Review