Works matching IS 1432881X AND DT 2013 AND VI 132 AND IP 6
Results: 9
Nina Berova, Prasad L. Polavarapu, Koji Nakanishi and Robert W. Woody (Eds.): Comprehensive chiroptical spectroscopy.
- Published in:
- 2013
- By:
- Publication type:
- Book Review
Theoretical study of the complex reaction of O(P) with trans-2-butene.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 6, p. 1, doi. 10.1007/s00214-013-1366-4
- By:
- Publication type:
- Article
Preface to the ESPA-2012 special issue.
- Published in:
- 2013
- By:
- Publication type:
- Editorial
Mechanism of the Humicola insolens Cel7B E197S mutant catalyzed flavonoid glycosides synthesis: a QM/MM metadynamics simulation study.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 6, p. 1, doi. 10.1007/s00214-013-1367-3
- By:
- Publication type:
- Article
Parameterization of the prosthetic redox centers of the bacterial cytochrome bc complex for atomistic molecular dynamics simulations.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 6, p. 1, doi. 10.1007/s00214-013-1370-8
- By:
- Publication type:
- Article
Manipulating the singlet-triplet transition in ion strings by nonresonant dynamic Stark effect.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 6, p. 1, doi. 10.1007/s00214-013-1359-3
- By:
- Publication type:
- Article
Toward the multi-component quantum theory of atoms in molecules: a variational derivation.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 6, p. 1, doi. 10.1007/s00214-013-1365-5
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- Publication type:
- Article
Interpretation of exchange and correlation using natural orbital CI expansions.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 6, p. 1, doi. 10.1007/s00214-013-1364-6
- By:
- Publication type:
- Article
The two-component quantum theory of atoms in molecules (TC-QTAIM): tensor formulation and its implications.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 6, p. 1, doi. 10.1007/s00214-013-1362-8
- By:
- Publication type:
- Article