Adsorption and Polymerization of Aniline on Cu(II)-Montmorillonite:  Vibrational Spectroscopy and ab Initio Calculation†

M. Ilic; E. Koglin; A. Pohlmeier; H. D. Narres; M. J. Schwuger

doi:10.1021/la000534d

Adsorption and Polymerization of Aniline on Cu(II)-Montmorillonite: Vibrational Spectroscopy and ab Initio Calculation†

Langmuir ◽

10.1021/la000534d ◽

2000 ◽

Vol 16 (23) ◽

pp. 8946-8951 ◽

Cited By ~ 22

Author(s):

M. Ilic ◽

E. Koglin ◽

A. Pohlmeier ◽

H. D. Narres ◽

M. J. Schwuger

Keyword(s):

Ab Initio ◽

Vibrational Spectroscopy ◽

Ab Initio Calculation

Download Full-text

ChemInform Abstract: Molecular Structure and Conformation of 3-Methyl-2-butanone: A Gas Electron Diffraction Investigation Combined with ab initio Calculation and Vibrational Spectroscopy.

ChemInform ◽

10.1002/chin.199007072 ◽

1990 ◽

Vol 21 (7) ◽

Author(s):

T. SAKURAI ◽

M. ISHIYAMA ◽

H. TAKEUCHI ◽

K. TAKESHITA ◽

K. FUKUSHI ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Ab Initio Calculation ◽

Gas Electron Diffraction ◽

Electron Diffraction Investigation

Download Full-text

Molecular structure and conformation of 3-methyl-2-butanone: A gas electron diffraction investigation combined with ab initio calculation and vibrational spectroscopy

Journal of Molecular Structure ◽

10.1016/0022-2860(89)85125-7 ◽

1989 ◽

Vol 213 ◽

pp. 245-261 ◽

Cited By ~ 8

Author(s):

Teruhisa Sakurai ◽

Masato Ishiyama ◽

Hiroshi Takeuchi ◽

Kouichi Takeshita ◽

Kohji Fukushi ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Ab Initio Calculation ◽

Gas Electron Diffraction ◽

Electron Diffraction Investigation

Download Full-text

Structural and energetic effect of the intramolecular hydrogen bonding in 4,6-dihaloresorcinols: ab initio calculation, vibrational spectroscopy, and molecular docking studies

Structural Chemistry ◽

10.1007/s11224-021-01820-z ◽

2021 ◽

Author(s):

Saheed A. Popoola ◽

Abdulmujeeb T. Onawole ◽

Nisar Ullah ◽

Abdulaziz A. Al-Saadi

Keyword(s):

Hydrogen Bonding ◽

Molecular Docking ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Ab Initio Calculation ◽

Intramolecular Hydrogen Bonding ◽

Docking Studies ◽

Molecular Docking Studies ◽

Intramolecular Hydrogen

Download Full-text

ChemInform Abstract: Molecular Structure and Conformation of 2,4-Dimethylpentane Studied by Gas Electron Diffraction Combined with Vibrational Spectroscopy and ab initio Calculation.

ChemInform ◽

10.1002/chin.199038051 ◽

1990 ◽

Vol 21 (38) ◽

Author(s):

M. SUGINO ◽

H. TAKEUCHI ◽

T. EGAWA ◽

S. KONAKA

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Ab Initio Calculation ◽

Gas Electron Diffraction

Download Full-text

Two-dimensional vibrational spectroscopy. II. Ab initio calculation of the coherent 2D infrared response function of CHCl3 and comparison with the 2D Raman response function

The Journal of Chemical Physics ◽

10.1063/1.479710 ◽

1999 ◽

Vol 111 (9) ◽

pp. 4131-4139 ◽

Cited By ~ 26

Author(s):

Kisam Park ◽

Minhaeng Cho ◽

Sangjoon Hahn ◽

Dongho Kim

Keyword(s):

Ab Initio ◽

Response Function ◽

Vibrational Spectroscopy ◽

Ab Initio Calculation ◽

Two Dimensional ◽

Raman Response

Download Full-text

Molecular structure and conformation of 2,4-dimethylpentane studied by gas electron diffraction combined with vibrational spectroscopy and ab initio calculation

Journal of Molecular Structure ◽

10.1016/0022-2860(90)85052-k ◽

1990 ◽

Vol 222 (3-4) ◽

pp. 453-465 ◽

Cited By ~ 4

Author(s):

Masami Sugino ◽

Hiroshi Takeuchi ◽

Toru Egawa ◽

Shigehiro Konaka

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Ab Initio Calculation ◽

Gas Electron Diffraction

Download Full-text

Vibrational spectroscopy study and ab initio calculation on ZnMoO4 system

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.127776 ◽

2020 ◽

Vol 1206 ◽

pp. 127776 ◽

Cited By ~ 1

Author(s):

J.G. da Silva Filho ◽

G.D. Saraiva ◽

A.J. Ramiro de Castro ◽

V.O. Sousa Neto ◽

A. Saraiva-Souza ◽

...

Keyword(s):

Ab Initio ◽

Vibrational Spectroscopy ◽

Ab Initio Calculation ◽

Spectroscopy Study

Download Full-text

Ab initio calculation of the phonon dispersion curve for lithium

Journal de Physique ◽

10.1051/jphys:0198500460120219700 ◽

1985 ◽

Vol 46 (12) ◽

pp. 2197-2202 ◽

Cited By ~ 5

Author(s):

G.J. Vázquez ◽

L.F. Magaña

Keyword(s):

Ab Initio ◽

Dispersion Curve ◽

Ab Initio Calculation ◽

Phonon Dispersion ◽

Phonon Dispersion Curve

Download Full-text

AN AB-INITIO CALCULATION FOR PRESSURE SHIFTS OF OPTICAL ABSORPTION BANDS IN Fe2+ - BEARING GARNETS

Le Journal de Physique Colloques ◽

10.1051/jphyscol:1984818 ◽

1984 ◽

Vol 45 (C8) ◽

pp. C8-93-C8-96

Author(s):

Shen Guo-yin ◽

Zhao Min-guang

Keyword(s):

Optical Absorption ◽

Ab Initio ◽

Ab Initio Calculation ◽

Absorption Bands

Download Full-text

g-HARTREE AB-INITIO CALCULATION OF ATOMIC IONIZATION ENERGY

Le Journal de Physique Colloques ◽

10.1051/jphyscol:1987983 ◽

1987 ◽

Vol 48 (C9) ◽

pp. C9-509-C9-512

Author(s):

M. OHNO

Keyword(s):

Ab Initio ◽

Ionization Energy ◽

Ab Initio Calculation ◽

Atomic Ionization

Download Full-text