Hydrogen peroxide (H 2O 2)

[Skunkxxx]

see this is all a lie,I havent used PM in months.

 

I dont like liers mod or not,

I will let u know when i come in,that sounds like a threat.

 

Thx

[Skunkxxx]

That means nothing to me

 

You a chemist?

 

.I do know that when we shut down the nuclear plantNuclear recactors  (PWRs) use hydrogen peroxide during the plant shutdown to force the oxidation and dissolution of activated corrosion products deposited on the fuel. The corrosion products are then removed with the cleanup systems before the reactor is disassembled.

 I am just a old nuclear power plant start up Eng aid.

I do know it helps growth.

I did a test with some lettuce in two buckets

Plus  there are 49 pages of google results that show that it is good for plants.

And the OXY Plus must do something,its sold out everywhere.Safer Brand 8702 Oxygen Plus Liquid Plant Food 16 Ounce Concentrate just one from Amazon.

Out of stock

 

 

LETS NOT GET INTO A PISSING CONTEST ON MY grow diary.

 

Should be able to lock diary threads.

PM me if you want to bitch.

Peace Out

Skunkxx

[Skunkxxx]

 

That means nothing to me

 

You a chemist?

 

.I do know that when we shut down the nuclear plantNuclear recactors  (PWRs) use hydrogen peroxide during the plant shutdown to force the oxidation and dissolution of activated corrosion products deposited on the fuel. The corrosion products are then removed with the cleanup systems before the reactor is disassembled.

 I am just a old nuclear power plant start up Eng aid.

I do know it helps growth.

I did a test with some lettuce in two buckets

Plus  there are 49 pages of google results that show that it is good for plants.

And the OXY Plus must do something,its sold out everywhere.Safer Brand 8702 Oxygen Plus Liquid Plant Food 16 Ounce Concentrate just one from Amazon.

Out of stock

 

 

LETS NOT GET INTO A PISSING CONTEST ON MY grow diary.

 

Should be able to lock diary threads.

PM me if you want to bitch.

Peace Out

Skunkxx

 

Whats wrong with this.I dont want this chit on my thread If not piss off

 

It works she is wrong saying it doesnt

[Skunkxxx]

J Am Chem Soc. 2004 Apr 28;126(16):5042-3.

Quantum calculations of vibrational energies of H3O2- on an ab initio potential.

Huang X, Braams BJ, Carter S, Bowman JM.

Source

Department of Chemistry, Emory University, Atlanta, Georgia 30322, USA.

Abstract

We report a full-dimensional potential energy surface for H3O2-, based on fitting 66,965 ab initio electronic energies. A major feature of this potential is a barrier of roughly 200 cm-1 to internal rotation of the two hydroxyl groups about a line connecting the two oxygen atoms and the bridging hydrogen atom. The potential is used in calculations of vibrational energies, performed with the "Reaction Path" version of the code "MULTIMODE". The results are compared to recent infrared messenger experiments and are used to propose interpretations of the experimental results.

PMID:   15099067   [PubMed]  

 

LinkOut - more resources

[Skunkxxx]

http://www.rollitup.org/marijuana-plant-problems/269540-need-help-leaves-curl-turn-2.html

 

Is it that all these peeps wrong? And one person says so

 

I think Lousie needs to do some more reading,maybe they didnt teach you right down there.

Edited October 17, 2013 by Skunkxxx

[Skunkxxx]

I hope you have the balls Oxxy420 to met me in airport.I think you will not show up.

[Skunkxxx]

 

Classical molecular-dynamics simulation of the hydroxyl radical in water

Mario G. Campo

a

͒

 Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de La Pampa,Santa Rosa, Argentina

J. Raul Grigera

b

͒

 Instituto de Física de Líquidos y Sistemas Biológicos (IFLYSIB), Universidad Nacional de la Plata(UNLP)-Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET)-Comisión de Investigaciones Científicas de la Provincia de Buenos Aires (CIC), B1900BTE, La Plata, Argentina

͑

Received 28 March 2005; accepted 12 July 2005; published online 1 September 2005

͒

We have studied the hydration and diffusion of the hydroxyl radical OH

0

in water using classicalmolecular dynamics. We report the atomic radial distribution functions, hydrogen-bonddistributions, angular distribution functions, and lifetimes of the hydration structures. The mostfrequent hydration structure in the OH

0

has one water molecule bound to the OH

0

oxygen

͑

57% of the time

͒

, and one water molecule bound to the OH

0

hydrogen

͑

88% of the time

͒

. In the hydrogenbonds between the OH

0

and the water that surrounds it the OH

0

acts mainly as proton donor. Thesehydrogen bonds take place in a low percentage, indicating little adaptability of the molecule to thestructure of the solvent. All hydration structures of the OH

0

have shorter lifetimes than thosecorresponding to the hydration structures of the water molecule. The value of the diffusioncoefficient of the OH

0

obtained from the simulation was 7.1

ϫ

10

−9

m

2

s

−1

, which is higher thanthose of the water and the OH

−

. ©

2005 American Institute of Physics

.

͓

DOI:10.1063/1.2013253

͔

I. INTRODUCTION

The hydroxyl radical OH

0

is a molecule that participatesin many events of biophysical importance which includes theremoval of heavy metals of contaminated water

1,2

and thesubtraction of protons from the C–C bonds.

3

It is formed indifferent processes such as the radiolysis of water

4

and thephotolysis of dissolved NO

3−

. Knowledge of the hydration of the OH

0

will allow a better understanding of its interactionwith different molecules in solution.Different models of OH

0

have been used to study differ-ent processes.

5–16

Hamza

et al.

5

studied the proton subtrac-tion of the C4

*

of a DNA sugar using an

ab initio

method. Inthis case, the charge of the OH

0

is 0.44

e

for the proton, and−0.44

e

for the oxygen. Cooper

et al.

6

carried out an

ab initio

computation of the optimized structures for the H

2

O·OH

0

complex. They obtained three structures, in two of them theOH

0

acts as proton donor, and in a third it acts as protonacceptor. Hamad

et al.

7

studied the hydration of OH

0

insmall H

2

n

+1

–O

n

͑

n

=1–5

͒

clusters using different quantum-chemical methods. The binding energy is the largest whenOH

0

acts as proton donor. Cabral do Couto

et al.

,

8

withmicrosolvation modeling and Monte Carlo simulations, ana-lyzed the structure, vibrational spectrum, and energetic of OH

0

–H

2

O clusters. Comparing the structures of the hy-drated OH

0

solution with the structure of pure liquid water,they found that the OH

0

radical plays a strong role of protondonor in water, too.Roeselová

et al.

9

reported the first classical molecular-dynamics

͑

MD

͒

study about the behavior of the OH

0

radicalin aqueous salt aerosol surfaces, using 0.4

e

for the hydrogencharge, and −0.4

e

for the oxygen charge. In a recent classicalMD study,

10

these authors found that the OH

0

perturbs sig-nificantly the structure of water molecules in their first andsecond solvation shells, indicating that this could be thecause of the surfactantlike behavior of this molecule.Vácha

et al.

11

calculated the potentials of mean forceconnected with moving an atmospherically relevant mol-ecule or radical through an aqueous slab by means of MDsimulations. They obtained that the OH

0

has a hydrophilicbehavior, so that it has lower free energy in water than in air.Vassilev

et al.

12

used the Car-Parrinello density-functional theory to perform a MD simulation of a OH

0

and31 water molecules, obtaining a local structure configurationaround OH

0

, with two water molecules bonded to the OH

0

oxygen, one water molecule bonded to the OH

0

hydrogen,and a third water molecule hemibonded to this molecule.Vande Vondele and Sprik

13

attributed the hemibonded waterfinding to an artifact of the method. The latter authors per-formed a density-functional-theory-based MD simulation of the OH

0

radical in solution, where this molecule acts as agood hydrogen bond donor.Khalack and Lyubartsev

14

compared the behavior of OH

0

and OH

−

in liquid water using a Car-Parrinello MDsimulation, finding that OH

0

is a more active hydrogen-bonddonor and acceptor than the water molecule. Furthermore,they found that the accepted hydrogen bonds for the OH

0

aremuch weaker than for the OH

−

.In spite of the number of works dealing with the study of the OH

0

radicals, a complete analysis of the hydration anddiffusion of OH

0

has not been carried out. The small numberof solvent molecules and the small number of configurations

a

͒

FAX:

ϩ

54-2954-45-73-17. Electronic mail: mario@exactas.unlpam.edu.ar

b

͒

Author to whom correspondence should be addressed. FAX:

ϩ

54-425-73-17. Electronic mail: grigera@iflysib.unlp.edu.ar

THE JOURNAL OF CHEMICAL PHYSICS

123

, 084507

͑

2005

͒

0021-9606/2005/123

͑

8

͒

 /084507/6/$22.50 © 2005 American Institute of Physics

123

, 084507-1

Downloaded 01 Sep 2005 to 150.209.51.212. Redistribution subject to AIP license or copyright, see http://jcp.aip.org/jcp/copyright.jsp

 

[Skunkxxx]

 

used in the

ab initio

calculation does not allow a completeand extensive description of the behavior of the OH

0

in so-lution. By using classical MD it is possible to observe thesimulated system visiting most of the possible configurationsand obtain several functions and properties that depend on it

͑

e.g., radial distribution functions

͒

.Here we report a study of OH

0

hydration and diffusionusing classical MD. We have obtained the most frequent hy-dration structures of the OH

0

, the lifetimes of these struc-tures, their diffusion coefficients, hydrogen-bond distribu-tions, and the radial

͑

RDF

͒

and angular

͑

ADF

͒

distributionfunctions. The analysis of the group or results allowed us toobtain a complete description of the behavior of the OH

0

insolution.We have reported a study of OH

−

in extended simplepoint charge

͑

SPC/E

͒

water model using classical MD in aprevious paper,

17

here we compare the results of OH

−

andOH

0

simulations and find important differences

[Skunkxxx]

I. METHODSA. Molecular-dynamics simulation

We carried out MD of OH

0

in solution using the

GRO-MOS 96

͑

Ref. 18

͒

package, in which the equations of motionare integrated by using a leap-frog algorithm.For the interaction of the atoms

i

and

j

of the OH

0

andwater molecules, we used the potential

U 

ij

=

ͫ

C 

12

r 

00

͑

i

,

 j

͒

ͬ

12

−

ͫ

C 

6

r 

00

͑

i

,

 j

͒

ͬ

6

+

͚

␣ 

=13

͚

␤ 

=13

q

␣ 

͑

i

͒

q

␤ 

͑

 j

͒

r 

␣␤ 

͑

ij

͒

,

͑

1

͒

where the van der Waals interaction involves only oxygenatoms and

q

the partial atomic charges.The programs use a twin range method which evaluatesthe potential energy at every step for short distances

͑

r 

Ͻ

 R

 p

͒

and less frequently at longer distances

͑

r 

Ͼ

 R

l

͒

. A re-action field is used to approach the contributions of the elec-trostatic component of the interaction energy for

r 

Ͼ

 R

 f 

. Weused the van der Waals parameters of MTA1 basis of the

GROMOS 96

package,

C 

12

=2.634

ϫ

10

−6

kJ mol

−1

nm

12

and

C 

6

=2.617

ϫ

10

−3

kJ mol

−1

nm

6

, the cut-off radii

R

 p

=1.1 nmand

R

l

=1.4 nm for the van der Waals interactions, and thecut-off radius

R

 f 

=1.4 nm for the reaction field.We used the SPC/E model

19

as solvent in which the O–Hdistance is 0.1 nm, the H–O–H angle is 109.47°, the oxygenatom charge is −0.8476

e

, and the hydrogen atom charge is0.4238

e

. We calculated the charges of the OH

0

atoms usingthe AIM methods and the HF/6-31G

*

basis, with the

GAUSS-IAN 98

package. The atom charges in the OH

0

model are−0.438

e

for the oxygen and 0.438

e

for the hydrogen. Weused the SHAKE method to impose distance constraints onthe bond length in the water and in the OH

0

.We used a previously stabilized configuration of 216SPC/E water molecules, in which we eliminated four hydro-gen atoms to obtain four OH

0

radical molecules to initializethe system. We carried out 50 steps of energy minimizationkeeping the OH

0

molecules positionally restrained. Then, westabilized the system by 200 steps of energy minimizationwithout constraints, obtaining a unit cubic cell of 1.87 nm

http://www.academia.edu/3223445/Classical_molecular-dynamics_simulation_of_the_hydroxyl_radical_in_water

[Skunkxxx]

1.  

2.  

   Chapter 5 Strong Hydrogen Bonds - Protonated Water Clusters and ...

   www.diss.fu-berlin.de/diss/servlets/.../FUDISS.../05_Res2.pdf;...‎

   •  

3.  

 

 

The last section focuses on the H3O2. − anion. ... cally between the two oxygen atomsof the water ligands. Electronic ... The Zundel cation has a high dissociation energy (H5O+ ... An additional weak feature denoted with a is observed at 788.