Fundamental Mechanistic Understanding of Electrocatalysis of Oxygen Reduction on Pt and Non-Pt Surfaces: Acid versus Alkaline Media
摘要：
Complex electrochemical reactions such as Oxygen Reduction Reaction (ORR) involving multi-electron t...
doi：
10.1155/2012/491604
作 者：
SanjeevMukerjee;Naga...
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Advances in Physical Chemistry
Microscopic Rate Constants of Crystal Growth from Molecular Dynamic Simulations Combined with Metadynamics
摘要：
Atomistic simulation of crystal growth can be decomposed into two steps: the determination of the mi...
doi：
10.1155/2012/135172
作 者：
DánielKozma;GergelyT...
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Advances in Physical Chemistry
Applications of Potential Energy Surfaces in the Study of Enzymatic Reactions
摘要：
From a generated PES, one can determine the relative energies of species involved, the sequence in w...
doi：
10.1155/2012/867409
作 者：
James W.Gauld;WenJua...
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Advances in Physical Chemistry
Ab InitioPotential Energy Surfaces for Both the Ground (X̃1A′) and Excited (A~1A′′) Electronic States of HSiBr and the Absorption and Emission Spectra of HSiBr/DSiBr
摘要：
Ab Initiopotential energy surfaces for the ground (X虄1A鈥? and excited (A藴A鈥测€?) electronic states of...
doi：
10.1155/2012/572148
作 者：
SenLin;DaiqianXie;An...
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Advances in Physical Chemistry
Predicting Heats of Explosion of Nitroaromatic Compounds through NBO Charges and15N NMR Chemical Shifts of Nitro Groups
摘要：
This work presents a new quantitative model to predict the heat of explosion of nitroaromatic compou...
doi：
10.1155/2012/304686
作 者：
Samuel P.Hernández-R...
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Advances in Physical Chemistry
Effect of Hetero Atom on the Hammett’s Reaction Constant (ρ) from the Physical Basis of Dissociation Equilibriums of (Dithio) Benzoic Acids and (Thio) Phenols and Its Application to Solvolysis Reactions and Some Free Radical Reactions
摘要：
The emergence of putative Hammett equation in mid 1930s was a boon to physical-organic chemists to e...
doi：
10.1155/2012/598243
作 者：
SanjeevRachuru;Jagan...
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Advances in Physical Chemistry
Contact and Distant Luminescence Quenching in Solutions
摘要：
The limitations and advantages of modern encounter theories of remote transfer are discussed, as wel...
doi：
10.1155/2009/214219
作 者：
Anatoly I.Burshtein
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期刊标题：
Advances in Physical Chemistry
DFT Study on the Oxidative Addition of 4-Substituted Iodobenzenes on Pd(0)-Phosphine Complexes
摘要：
The oxidative addition of 4-substituted iodobenzenes on Pd(0)-PMe3complexes has been studied at the ...
doi：
10.1155/2015/985268
作 者：
Tímea R.Kégl;LászlóK...
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Advances in Physical Chemistry
Geometry, Energy, and Some Electronic Properties of Carbon Polyprismanes:Ab Initioand Tight-Binding Study
摘要：
We report geometry, energy, and some electronic properties of [n,4]- and [n,5]prismanes (polyprisman...
doi：
10.1155/2015/506894
作 者：
Stanislav A.Shostach...
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Advances in Physical Chemistry
DFT Study of a Novel Organic Film: The Structural versus Magnetic Effects
摘要：
Unsaturated fatty acids have great interest by their activities as industrial materials in novel app...
doi：
10.1155/2015/597584
作 者：
A.Juan;G.Brizuela;S....
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期刊标题：
Advances in Physical Chemistry
