Structural Changes upon Reduction of Dipyrido[2,3-a:3‘,2‘-c]phenazine Probed by Vibrational Spectroscopy, ab Initio Calculations, and Deuteration Studies

Structural Changes

Structural and conformational analysis of N-chloro-N-ethylethanamine by gas electron diffraction, ab initio calculations and vibrational spectroscopy

10.1016/0022-2860(93)80252-q ◽

1993 ◽

Vol 291 (1) ◽

pp. 11-22 ◽

Cited By ~ 7

Author(s):

Nobuhiko Kuze ◽

Hiroshi Takeuchi ◽

Toru Egawa ◽

Shigehiro Konaka ◽

Susan Q. Newton ◽

...

Keyword(s):

Electron Diffraction ◽

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Electron Diffraction

Gas-phase vibrational spectroscopy and ab initio calculations of Rb+(H2O)n and Rb+(H2O)nAr cluster ions

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2009.08.001 ◽

2009 ◽

Vol 257 (2) ◽

pp. 157-163 ◽

Cited By ~ 14

Author(s):

Amy L. Nicely ◽

Dorothy J. Miller ◽

James M. Lisy

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Cluster Ions

C≡H ⋅s O Hydrogen Bonds in Small Ring Carbonyl Compounds: Vibrational Spectroscopy and Ab initio Calculations

Structural Chemistry ◽

10.1007/s11224-005-4460-y ◽

2005 ◽

Vol 16 (3) ◽

pp. 287-293 ◽

Cited By ~ 27

Author(s):

Pedro D. Vaz ◽

Paulo J. A. Ribeiro-Claro

Keyword(s):

Hydrogen Bonds ◽

Ab Initio Calculations ◽

Ab Initio ◽

Carbonyl Compounds ◽

Small Ring

Structural changes as a function of torsional motion studied by ab initio calculations part 4. The dependence of the dynamic behavior of the structural parameters for H2O2 and H2S2 on basis sets and comparison with experimental results

10.1016/0022-2860(94)09011-d ◽

1995 ◽

Vol 346 ◽

pp. 35-40 ◽

Cited By ~ 17

Author(s):

Svein Samdal ◽

Vladimir S. Mastryukov ◽

James E. Boggs

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Dynamic Behavior ◽

Structural Changes ◽

Structural Parameters ◽

Experimental Results ◽

Basis Sets ◽

Torsional Motion

Reply to the Comment on: Cation vibrational spectroscopy of trans and gauche n‐propylbenzene rotational isomers. Two‐color threshold photoelectron study and ab initio calculations

The Journal of Chemical Physics ◽

10.1063/1.464938 ◽

1993 ◽

Vol 98 (6) ◽

pp. 5109-5109 ◽

Cited By ~ 4

Author(s):

M. Takahashi ◽

K. Kimura

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Rotational Isomers ◽

Photoelectron Study

Structural investigation of t-butylethylamine by gas electron diffraction, ab initio calculations and vibrational spectroscopy

10.1016/0022-2860(91)80143-r ◽

1991 ◽

Vol 244 ◽

pp. 1-16 ◽

Cited By ~ 4

Author(s):

Shigehiro Konaka ◽

Jun Hirose ◽

Atsuhiko Suwa ◽

Hiroshi Takeuchi ◽

Toru Egawa ◽

...

Keyword(s):

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Structural Investigation ◽

Gas Electron Diffraction

Conformational studies of aminomethylene-malonic acid dimethylester and its N-methyl derivatives using vibrational spectroscopy, X-ray analysis and ab initio calculations

10.1016/j.molstruc.2008.10.051 ◽

2009 ◽

Vol 924-926 ◽

pp. 54-61 ◽

Cited By ~ 3

Author(s):

M. Gróf ◽

A. Gatial ◽

P. Matějka ◽

J. Kožíšek ◽

V. Milata ◽

...

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Malonic Acid ◽

Conformational Studies ◽

X Ray ◽

Methyl Derivatives

Coordination of Imidazoles by Cu(II) and Zn(II) as Studied by NMR Relaxometry, EPR, far-FTIR Vibrational Spectroscopy and Ab Initio Calculations: Effect of Methyl Substitution

The Journal of Physical Chemistry A ◽

10.1021/jp1062868 ◽

2010 ◽

Vol 114 (50) ◽

pp. 13146-13153 ◽

Cited By ~ 32

Author(s):

Markus Andersson ◽

Jesper Hedin ◽

Patrik Johansson ◽

Jonas Nordström ◽

Magnus Nydén

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Methyl Substitution ◽

Nmr Relaxometry

Bond dissociation energies of HD16O (H16OD) obtained from triple resonance vibrational spectroscopy and ab initio calculations

Molecular Constants Mostly from Infrared Spectroscopy ◽

10.1007/978-3-662-49327-4_108 ◽

2016 ◽

pp. 358-358

Author(s):

G. Guelachvili ◽

N. Picqué

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Triple Resonance ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies

C−H···O Bonded Dimers in Liquid 4-Methoxybenzaldehyde: A Study by NMR, Vibrational Spectroscopy, and ab Initio Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp990908f ◽

1999 ◽

Vol 103 (43) ◽

pp. 8672-8677 ◽

Cited By ~ 48

Author(s):

N. Karger ◽

A. M. Amorim da Costa ◽

Paulo J. A. Ribeiro-Claro

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Vibrational Spectroscopy