Ab initio molecular dynamics study of the reaction of water with formaldehyde in sulfuric acid solution.

M. Sprik; E.M. Meijer

doi:10.1021/ja972935u

Ab initio molecular dynamics study of the reaction of water with formaldehyde in sulfuric acid solution.

M. Sprik, E.M. Meijer

Theoretical Chemistry

Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

Ab initio molecular dynamics methods have been used to study the reaction mechanism of acidcatalyzed addition of water to formaldehyde in a model system of an aqueous solution of sulfuric acid. Using the method of constraints we find that an H

Original language	English
Pages (from-to)	6345-6355
Journal	Journal of the American Chemical Society
Volume	120
DOIs	https://doi.org/10.1021/ja972935u
Publication status	Published - 1998

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1021/ja972935u

Persistent URL (handle)

Copy link address

Cite this

@article{9c366ed9c52446dc9aadf0a329d1c515,

title = "Ab initio molecular dynamics study of the reaction of water with formaldehyde in sulfuric acid solution.",

abstract = "Ab initio molecular dynamics methods have been used to study the reaction mechanism of acidcatalyzed addition of water to formaldehyde in a model system of an aqueous solution of sulfuric acid. Using the method of constraints we find that an H",

author = "M. Sprik and E.M. Meijer",

year = "1998",

doi = "10.1021/ja972935u",

language = "English",

volume = "120",

pages = "6345--6355",

journal = "Journal of the American Chemical Society",

issn = "0002-7863",

publisher = "American Chemical Society",

}

TY - JOUR

T1 - Ab initio molecular dynamics study of the reaction of water with formaldehyde in sulfuric acid solution.

AU - Sprik, M.

AU - Meijer, E.M.

PY - 1998

Y1 - 1998

N2 - Ab initio molecular dynamics methods have been used to study the reaction mechanism of acidcatalyzed addition of water to formaldehyde in a model system of an aqueous solution of sulfuric acid. Using the method of constraints we find that an H

AB - Ab initio molecular dynamics methods have been used to study the reaction mechanism of acidcatalyzed addition of water to formaldehyde in a model system of an aqueous solution of sulfuric acid. Using the method of constraints we find that an H

U2 - 10.1021/ja972935u

DO - 10.1021/ja972935u

M3 - Article

SN - 0002-7863

VL - 120

SP - 6345

EP - 6355

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

ER -

Ab initio molecular dynamics study of the reaction of water with formaldehyde in sulfuric acid solution.

Abstract

UN SDGs

Access to Document

Persistent URL (handle)

Fingerprint

Cite this