A New Five-Site Pair Potential for Formic Acid in Liquid Simulations

Pál Jedlovszky; László Turi

doi:10.1021/jp990716k

A New Five-Site Pair Potential for Formic Acid in Liquid Simulations

The Journal of Physical Chemistry A ◽

10.1021/jp990716k ◽

1999 ◽

Vol 103 (19) ◽

pp. 3796-3796 ◽

Cited By ~ 13

Author(s):

Pál Jedlovszky ◽

László Turi

Keyword(s):

Formic Acid ◽

Pair Potential ◽

Site Pair

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A New Five-Site Pair Potential for Formic Acid in Liquid Simulations

The Journal of Physical Chemistry A ◽

10.1021/jp961891t ◽

1997 ◽

Vol 101 (14) ◽

pp. 2662-2665 ◽

Cited By ~ 33

Author(s):

Pál Jedlovszky ◽

László Turi

Keyword(s):

Formic Acid ◽

Pair Potential ◽

Site Pair

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Role of the C−H···O Hydrogen Bonds in Liquids: A Monte Carlo Simulation Study of Liquid Formic Acid Using a Newly Developed Pair-Potential

The Journal of Physical Chemistry B ◽

10.1021/jp990711n ◽

1999 ◽

Vol 103 (17) ◽

pp. 3510-3510

Author(s):

László Turi

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Hydrogen Bonds ◽

Formic Acid ◽

Simulation Study ◽

Pair Potential ◽

Monte Carlo Simulation Study

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New theoretical insight into the interactions and properties of formic acid: Development of a quantum-based pair potential for formic acid

The Journal of Chemical Physics ◽

10.1063/1.2052707 ◽

2005 ◽

Vol 123 (14) ◽

pp. 144702 ◽

Cited By ~ 23

Author(s):

Szczepan Roszak ◽

Richard H. Gee ◽

Krishnan Balasubramanian ◽

Laurence E. Fried

Keyword(s):

Formic Acid ◽

Pair Potential ◽

Theoretical Insight ◽

Insight Into

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Role of the C−H···O Hydrogen Bonds in Liquids: A Monte Carlo Simulation Study of Liquid Formic Acid Using a Newly Developed Pair-Potential

The Journal of Physical Chemistry B ◽

10.1021/jp963906t ◽

1997 ◽

Vol 101 (27) ◽

pp. 5429-5436 ◽

Cited By ~ 51

Author(s):

Pál Jedlovszky ◽

László Turi

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Hydrogen Bonds ◽

Formic Acid ◽

Simulation Study ◽

Pair Potential ◽

Monte Carlo Simulation Study

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A simple effective pair potential for the molecular simulation of the thermodynamic properties of ammonia

Molecular Physics ◽

10.1080/002689799163073 ◽

1999 ◽

Vol 97 (10) ◽

pp. 1129-1137 ◽

Cited By ~ 3

Author(s):

T. Kristof, J. Vorholz, J. Liszi, B. R

Keyword(s):

Thermodynamic Properties ◽

Molecular Simulation ◽

Pair Potential ◽

Effective Pair Potential ◽

Effective Pair

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An ab initio pair potential for Ne2 and the equilibrium properties of neon

Molecular Physics ◽

10.1080/002689798166800 ◽

1998 ◽

Vol 95 (3) ◽

pp. 471-475 ◽

Cited By ~ 1

Author(s):

GREG GROCHOLA SALVY RUSSO IAN SNOOK

Keyword(s):

Ab Initio ◽

Pair Potential

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NMR relaxation study and molecular pair distribution functions of the system formic acid/chloroform

Journal de Chimie Physique ◽

10.1051/jcp/1977740814 ◽

1977 ◽

Vol 74 ◽

pp. 814-824 ◽

Cited By ~ 20

Author(s):

A. Kratochwill ◽

H. G. Hertz

Keyword(s):

Formic Acid ◽

Nmr Relaxation ◽

Distribution Functions ◽

Molecular Pair ◽

Relaxation Study ◽

Pair Distribution Functions

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NANOELECTROCATALYSTS BASED PALLADIUM FOR FUEL CELLS WITH DIRECT OXIDATION OF FORMIC ACID

Computational nanotechnology ◽

10.33693/2313-223x-2019-6-3-104-107 ◽

2019 ◽

Vol 6 (3) ◽

pp. 104-107

Author(s):

Marina Vladimirovna Lebedeva ◽

Alexey Petrovich Antropov ◽

Alexander Victorovich Ragutkin ◽

Nicolay Andreevich Yashtulov

Keyword(s):

Formic Acid ◽

Palladium Nanoparticles ◽

Oxidation Reaction ◽

Electrode Materials ◽

Formic Acid Oxidation ◽

Energy Sources ◽

Acid Oxidation ◽

Direct Oxidation ◽

Atomic Force ◽

Formic Acid Oxidation Reaction

In paper electrode materials with palladium nanoparticles on polymer matrix substrates for energy sources have been formed. Nanocomposites were investigated by atomic force and scanning electron microscopy. The catalytic activity of formed electrodes in the formic acid oxidation reaction was evaluated by voltammetry method.

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