Characterisation of the conformational probability of N-Acetyl-Phenylalanine-NH2 by RHF, DFT, MP2 computation and AIM Analyses, confirmed by jet-cooled infrared data

G.A. Chasse; G.A. Chass; R.S. Mirasol; D.H. Setiadi; T.H. Tang; W. Chin; M. Mons; I. Dimicoli; J.P. Dognon; B. Viskolcz; S. Lovas; B. Penke; I.G. Csizmadia

doi:10.1021/jp040720i

Characterisation of the conformational probability of N-Acetyl-Phenylalanine-NH2 by RHF, DFT, MP2 computation and AIM Analyses, confirmed by jet-cooled infrared data

G.A. Chasse
, G.A. Chass
, R.S. Mirasol
, D.H. Setiadi
, T.H. Tang
, W. Chin
, M. Mons
, I. Dimicoli
, J.P. Dognon
, B. Viskolcz
, S. Lovas
, B. Penke
, I.G. Csizmadia

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	5289-5302
Journal	Journal of Physical Chemistry A
Volume	109
Issue number	24
DOIs	https://doi.org/10.1021/jp040720i
Publication status	Published - 1 May 2005

Keywords

CHEMISTRY
PHYSICAL
PHYSICS
ATOMIC
MOLECULAR & CHEMICAL

Access to Document

10.1021/jp040720i

Cite this

Chasse, G. A., Chass, G. A., Mirasol, R. S., Setiadi, D. H., Tang, T. H., Chin, W., Mons, M., Dimicoli, I., Dognon, J. P., Viskolcz, B., Lovas, S., Penke, B., & Csizmadia, I. G. (2005). Characterisation of the conformational probability of N-Acetyl-Phenylalanine-NH2 by RHF, DFT, MP2 computation and AIM Analyses, confirmed by jet-cooled infrared data. Journal of Physical Chemistry A, 109(24), 5289-5302. https://doi.org/10.1021/jp040720i

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title = "Characterisation of the conformational probability of N-Acetyl-Phenylalanine-NH2 by RHF, DFT, MP2 computation and AIM Analyses, confirmed by jet-cooled infrared data",

keywords = "CHEMISTRY, PHYSICAL, PHYSICS, ATOMIC, MOLECULAR \& CHEMICAL",

author = "G.A. Chasse and G.A. Chass and R.S. Mirasol and D.H. Setiadi and T.H. Tang and W. Chin and M. Mons and I. Dimicoli and J.P. Dognon and B. Viskolcz and S. Lovas and B. Penke and I.G. Csizmadia",

year = "2005",

month = may,

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doi = "10.1021/jp040720i",

language = "English",

volume = "109",

pages = "5289--5302",

journal = "Journal of Physical Chemistry A",

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Chasse, GA, Chass, GA, Mirasol, RS, Setiadi, DH, Tang, TH, Chin, W, Mons, M, Dimicoli, I, Dognon, JP, Viskolcz, B, Lovas, S, Penke, B & Csizmadia, IG 2005, 'Characterisation of the conformational probability of N-Acetyl-Phenylalanine-NH2 by RHF, DFT, MP2 computation and AIM Analyses, confirmed by jet-cooled infrared data', Journal of Physical Chemistry A, vol. 109, no. 24, pp. 5289-5302. https://doi.org/10.1021/jp040720i

TY - JOUR

T1 - Characterisation of the conformational probability of N-Acetyl-Phenylalanine-NH2 by RHF, DFT, MP2 computation and AIM Analyses, confirmed by jet-cooled infrared data

AU - Chasse, G.A.

AU - Chass, G.A.

AU - Mirasol, R.S.

AU - Setiadi, D.H.

AU - Tang, T.H.

AU - Chin, W.

AU - Mons, M.

AU - Dimicoli, I.

AU - Dognon, J.P.

AU - Viskolcz, B.

AU - Lovas, S.

AU - Penke, B.

AU - Csizmadia, I.G.

PY - 2005/5/1

Y1 - 2005/5/1

KW - CHEMISTRY

KW - PHYSICAL

KW - PHYSICS

KW - ATOMIC

KW - MOLECULAR & CHEMICAL

U2 - 10.1021/jp040720i

DO - 10.1021/jp040720i

M3 - Article

SN - 1089-5639

VL - 109

SP - 5289

EP - 5302

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 24

ER -