Carotenoids as a Shortcut for Chlorophyll Soret-to-Q Band Energy Flow.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 15, p. 3392, doi. 10.1002/cphc.201402233
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- Publication type:
- Article
Works matching IS 14394235 AND DT 2014 AND VI 15 AND IP 15
Results: 23
1
2
Protein Structure Prediction: Assembly of Secondary Structure Elements by Basin-Hopping.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 15, p. 3378, doi. 10.1002/cphc.201402247
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- Article
3
Efficient Calculation of Anharmonic Vibrational Spectra of Large Molecules with Localized Modes.
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- ChemPhysChem, 2014, v. 15, n. 15, p. 3365, doi. 10.1002/cphc.201402251
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- Article
4
A Multifrequency Virtual Spectrometer for Complex Bio-Organic Systems: Vibronic and Environmental Effects on the UV/Vis Spectrum of Chlorophyll a.
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- ChemPhysChem, 2014, v. 15, n. 15, p. 3355, doi. 10.1002/cphc.201402300
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- Article
5
Computational Reference Data for the Photochemistry of Cyclobutane Pyrimidine Dimers.
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- ChemPhysChem, 2014, v. 15, n. 15, p. 3342, doi. 10.1002/cphc.201402302
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- Publication type:
- Article
6
The Diverse Manifold of Electronic States Generated by a Single Carbon Defect in a Graphene Sheet: Multireference Calculations Using a Pyrene Defect Model.
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- ChemPhysChem, 2014, v. 15, n. 15, p. 3334, doi. 10.1002/cphc.201402304
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- Publication type:
- Article
7
Quantum-Classical Calculation of the Absorption and Emission Spectral Shapes of Oligothiophenes at Low and Room Temperature by First-Principle Calculations.
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- ChemPhysChem, 2014, v. 15, n. 15, p. 3320, doi. 10.1002/cphc.201402323
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- Publication type:
- Article
8
Interactive Chemical Reactivity Exploration.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 15, p. 3301, doi. 10.1002/cphc.201402342
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- Article
9
Nonuniform Continuum Model for Solvatochromism Based on Frozen-Density Embedding Theory.
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- ChemPhysChem, 2014, v. 15, n. 15, p. 3291, doi. 10.1002/cphc.201402351
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- Publication type:
- Article
10
Tracking Conformational Dynamics of Polypeptides by Nonlinear Electronic Spectroscopy of Aromatic Residues: A First-Principles Simulation Study.
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- ChemPhysChem, 2014, v. 15, n. 15, p. 3282, doi. 10.1002/cphc.201402374
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- Publication type:
- Article
11
Coupled-Cluster Interaction Energies for 200-Atom Host-Guest Systems.
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- ChemPhysChem, 2014, v. 15, n. 15, p. 3270, doi. 10.1002/cphc.201402379
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- Article
12
Averaging Techniques for Reaction Barriers in QM/MM Simulations.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 15, p. 3264, doi. 10.1002/cphc.201402382
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- Publication type:
- Article
13
Real-time Simulations of Photoinduced Coherent Charge Transfer and Proton-Coupled Electron Transfer.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 15, p. 3258, doi. 10.1002/cphc.201402444
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- Publication type:
- Article
14
The Lineshape of the Electronic Spectrum of the Green Fluorescent Protein Chromophore, Part II: Solution Phase.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 15, p. 3246, doi. 10.1002/cphc.201402485
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- Article
15
The Lineshape of the Electronic Spectrum of the Green Fluorescent Protein Chromophore, Part I: Gas Phase.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 15, p. 3236, doi. 10.1002/cphc.201402355
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- Publication type:
- Article
16
Protocol for Rational Design of Covalently Interacting Inhibitors.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 15, p. 3226, doi. 10.1002/cphc.201402542
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- Article
17
A Density-Based Adaptive Quantum Mechanical/Molecular Mechanical Method.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 15, p. 3218, doi. 10.1002/cphc.201402105
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- Publication type:
- Article
18
Wavefunction in Density Functional Theory Embedding for Excited States: Which Wavefunctions, which Densities?
- Published in:
- ChemPhysChem, 2014, v. 15, n. 15, p. 3205, doi. 10.1002/cphc.201402459
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- Publication type:
- Article
19
The Fenna-Matthews-Olson Protein Revisited: A Fully Polarizable (TD)DFT/MM Description.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 15, p. 3194, doi. 10.1002/cphc.201402244
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- Publication type:
- Article
20
Towards the Realization of Ab Initio Dynamics at the Speed of Molecular Mechanics: Simulations with Interpolated Diabatic Hamiltonian.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 15, p. 3183, doi. 10.1002/cphc.201402226
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- Article
21
Photochemistry and Photophysics at Extended Seams of Conical Intersection.
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- ChemPhysChem, 2014, v. 15, n. 15, p. 3166, doi. 10.1002/cphc.201402359
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- Publication type:
- Article
22
Assessments of Semilocal Density Functionals and Corrections for Carbon Dioxide Adsorption on Metal-Organic Frameworks.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 15, p. 3157, doi. 10.1002/cphc.201402291
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- Publication type:
- Article
23
Calculation of Complex Bio- and Organic Systems: From Ground-State Reactivity and Spectroscopy to Excited-State Dynamics.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 15, p. 3139, doi. 10.1002/cphc.201402644
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- Publication type:
- Article