Works matching IS 14394235 AND DT 2012 AND VI 13 AND IP 15

Results: 25

Revealing the Bonding Pattern from the Molecular Electron Density Using Single Exponential Decay Detector: An Orbital-Free Alternative to the Electron Localization Function.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3462, doi. 10.1002/cphc.201200500

By:

de Silva, Piotr;
Korchowiec, Jacek;
Wesolowski, Tomasz A.

Publication type:

Article

Contributions of Various Noncovalent Bonds to the Interaction between an Amide and S-Containing Molecules.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3535, doi. 10.1002/cphc.201200412

By:

Adhikari, Upendra;
Scheiner, Steve

Publication type:

Article

Lowering Energy Barriers in Surface Reactions through Concerted Reaction Mechanisms.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3467, doi. 10.1002/cphc.201200526

By:

Sakong, Sung;
Mosch, Christian;
Lozano, Ariel;
Busnengo, H. Fabio;
Groß, Axel

Publication type:

Article

Spectral Diffusion of Single Dibenzoterrylene Molecules in 2,3-Dimethylanthracene.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3510, doi. 10.1002/cphc.201200463

By:

Tian, Yuxi;
Navarro, Pedro;
Kozankiewicz, Boleslaw;
Orrit, Michel

Publication type:

Article

Two-Photon Absorption and Time-Resolved Stimulated Emission Depletion Spectroscopy of a New Fluorenyl Derivative.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3481, doi. 10.1002/cphc.201200405

By:

Belfield, Kevin D.;
Bondar, Mykhailo V.;
Morales, Alma R.;
Yue, Xiling;
Luchita, Gheorghe;
Przhonska, Olga V.;
Kachkovsky, Olexy D.

Publication type:

Article

Graphical Abstract: ChemPhysChem 15/2012.

Published in:: ChemPhysChem, 2012, v. 13, n. 15, p. 3411, doi. 10.1002/cphc.201290071
Publication type:: Article

Quantifying Large Effects of Framework Flexibility on Diffusion in MOFs: CH4 and CO2 in ZIF-8.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3449, doi. 10.1002/cphc.201200529

By:

Haldoupis, Emmanuel;
Watanabe, Taku;
Nair, Sankar;
Sholl, David S.

Publication type:

Article

Prediction of the Main Route in the TiO2-Photocatalyzed Degradation of Organic Compounds in Water by Density Functional Calculations.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3457, doi. 10.1002/cphc.201200382

By:

Tada, Hiroaki;
Jin, Qiliang;
Kobayashi, Hisayoshi

Publication type:

Article

How Good Are Coarse-Grained Polymer Models? A Comparison for Atactic Polystyrene.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3428, doi. 10.1002/cphc.201200111

By:

Karimi-Varzaneh, Hossein Ali;
van der Vegt, Nico F. A.;
Müller-Plathe, Florian;
Carbone, Paola

Publication type:

Article

New Chemical Insights Using Weakly Supported Voltammetry: The Reductive Cleavage of ArylBr Bonds is Reversible.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3441, doi. 10.1002/cphc.201200480

By:

Wang, Yijun;
Barnes, Edward O.;
Compton, Richard G.

Publication type:

Article

Fluorescence Enhancement and End-to-End Assembly of Bisacridinedione-Gold Nanorods by Calcium Ions.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3445, doi. 10.1002/cphc.201200433

By:

Velu, Ranganathan;
Jung, Sungwook;
Won, Nayoun;
Im, Kyuhyun;
Kim, Sungjee;
Park, Nokyoung

Publication type:

Article

Inside Cover: Lowering Energy Barriers in Surface Reactions through Concerted Reaction Mechanisms (ChemPhysChem 15/2012).

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3410, doi. 10.1002/cphc.201290070

By:

Sakong, Sung;
Mosch, Christian;
Lozano, Ariel;
Busnengo, H. Fabio;
Groß, Axel

Publication type:

Article

Unusual Regioselective Electrophilic Substitutions in Quinoline Foldamers: Conceptual DFT and Frontier Molecular Orbital Analysis Reveal the Crucial Role of Folding and Substituents.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3526, doi. 10.1002/cphc.201200397

By:

Shravani, Madishetti;
Balaiah, Shanigaram;
Srinivas, Kolupula;
Bhanuprakash, K.;
Huc, Ivan

Publication type:

Article

How Can a Hydrophobic MOF be Water-Unstable? Insight into the Hydration Mechanism of IRMOFs.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3497, doi. 10.1002/cphc.201200455

By:

De Toni, Marta;
Jonchiere, Romain;
Pullumbi, Pluton;
Coudert, François-Xavier;
Fuchs, Alain H.

Publication type:

Article

The Adsorption of Oxygen and Coadsorption of CO and Oxygen on Structurally Well-Defined PdAg Surface Alloys.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3516, doi. 10.1002/cphc.201200477

By:

Farkas, Arnold P.;
Diemant, Thomas;
Bansmann, Joachim;
Behm, R. Jürgen

Publication type:

Article

Shaping Up with Physical Chemistry.

Published in:: ChemPhysChem, 2012, v. 13, n. 15, p. 3426, doi. 10.1002/cphc.201200814
Publication type:: Article

Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3453, doi. 10.1002/cphc.201200517

By:

Dutta, Gargi;
Sokol, Alexey A.;
Catlow, C. Richard A.;
Keal, Thomas W.;
Sherwood, Paul

Publication type:

Article

Effects of Fluorine Substitution on the Shape of Neurotransmitters: the Rotational Spectrum of 2-(2-Fluorophenyl)Ethanamine.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3504, doi. 10.1002/cphc.201200528

By:

Melandri, Sonia;
Merloni, Anna;
Maris, Assimo

Publication type:

Article

Understanding the Role of Water in Aqueous Ruthenium-Catalyzed Transfer Hydrogenation of Ketones.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3492, doi. 10.1002/cphc.201200454

By:

Pavlova, Anna;
Meijer, Evert Jan

Publication type:

Article

Spotlights on our sister journals: ChemPhysChem 15/2012.

Published in:: ChemPhysChem, 2012, v. 13, n. 15, p. 3422, doi. 10.1002/cphc.201290073
Publication type:: Article

On-Bead Screens Sample Narrower Affinity Ranges of Protein-Ligand Interactions Compared to Equivalent Solution Assays.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3472, doi. 10.1002/cphc.201200117

By:

Hintersteiner, Martin;
Buehler, Christof;
Auer, Manfred

Publication type:

Article

Dramatic Fluorescence Enhancement of Bare Carbon Dots through Facile Reduction Chemistry.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3549, doi. 10.1002/cphc.201200018

By:

Shen, Ran;
Song, Kai;
Liu, Huarong;
Li, Yuesheng;
Liu, Hewen

Publication type:

Article

Hyperfine Coupling Constants of β-Phosphorylated Nitroxides: A Tool to Probe the Cybotactic Effect by Electron Paramagnetic Resonance.

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3542, doi. 10.1002/cphc.201200420

By:

Audran, Gérard;
Brémond, Paul;
Marque, Sylvain R. A.;
Obame, Germain

Publication type:

Article

Editors' Selection: ChemPhysChem 15/2012.

Published in:: ChemPhysChem, 2012, v. 13, n. 15, p. 3418, doi. 10.1002/cphc.201290072
Publication type:: Article

Cover Picture: Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons (ChemPhysChem 15/2012).

Published in:

ChemPhysChem, 2012, v. 13, n. 15, p. 3409, doi. 10.1002/cphc.201290069

By:

Dutta, Gargi;
Sokol, Alexey A.;
Catlow, C. Richard A.;
Keal, Thomas W.;
Sherwood, Paul

Publication type:

Article

Works matching IS 14394235 AND DT 2012 AND VI 13 AND IP 15

Revealing the Bonding Pattern from the Molecular Electron Density Using Single Exponential Decay Detector: An Orbital-Free Alternative to the Electron Localization Function.

Contributions of Various Noncovalent Bonds to the Interaction between an Amide and S-Containing Molecules.

Lowering Energy Barriers in Surface Reactions through Concerted Reaction Mechanisms.

Spectral Diffusion of Single Dibenzoterrylene Molecules in 2,3-Dimethylanthracene.

Two-Photon Absorption and Time-Resolved Stimulated Emission Depletion Spectroscopy of a New Fluorenyl Derivative.

Graphical Abstract: ChemPhysChem 15/2012.

Quantifying Large Effects of Framework Flexibility on Diffusion in MOFs: CH<sub>4</sub> and CO<sub>2</sub> in ZIF-8.

Prediction of the Main Route in the TiO<sub>2</sub>-Photocatalyzed Degradation of Organic Compounds in Water by Density Functional Calculations.

How Good Are Coarse-Grained Polymer Models? A Comparison for Atactic Polystyrene.

New Chemical Insights Using Weakly Supported Voltammetry: The Reductive Cleavage of ArylBr Bonds is Reversible.

Fluorescence Enhancement and End-to-End Assembly of Bisacridinedione-Gold Nanorods by Calcium Ions.

Inside Cover: Lowering Energy Barriers in Surface Reactions through Concerted Reaction Mechanisms (ChemPhysChem 15/2012).

Unusual Regioselective Electrophilic Substitutions in Quinoline Foldamers: Conceptual DFT and Frontier Molecular Orbital Analysis Reveal the Crucial Role of Folding and Substituents.

How Can a Hydrophobic MOF be Water-Unstable? Insight into the Hydration Mechanism of IRMOFs.

The Adsorption of Oxygen and Coadsorption of CO and Oxygen on Structurally Well-Defined PdAg Surface Alloys.

Shaping Up with Physical Chemistry.

Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons.

Effects of Fluorine Substitution on the Shape of Neurotransmitters: the Rotational Spectrum of 2-(2-Fluorophenyl)Ethanamine.

Understanding the Role of Water in Aqueous Ruthenium-Catalyzed Transfer Hydrogenation of Ketones.

Spotlights on our sister journals: ChemPhysChem 15/2012.

On-Bead Screens Sample Narrower Affinity Ranges of Protein-Ligand Interactions Compared to Equivalent Solution Assays.

Dramatic Fluorescence Enhancement of Bare Carbon Dots through Facile Reduction Chemistry.

Hyperfine Coupling Constants of β-Phosphorylated Nitroxides: A Tool to Probe the Cybotactic Effect by Electron Paramagnetic Resonance.

Editors' Selection: ChemPhysChem 15/2012.

Cover Picture: Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons (ChemPhysChem 15/2012).