Here is the history of scientific activity of the GED group in Lomonosov Moscow State University.
Investigations of free molecules
Abbreviations for methods used are:
- GED — Gas electron diffraction
- MW — Microwave rotational spectroscopy
- IR — Infrared spectroscopy
- RS — Raman spectroscopy
Abbreviations for additional methods (column "AM") are:
- XRD — X-Ray diffraction
- ND — neutron diffraction
- UV-Vis — Ultraviolet and/or visible spectroscopy
- MS — Mass-spectroscopy
- PES — Photoelectron spectroscopy
| Date (YYYY-MM-DD) |
Compound |
GED |
MW |
IR |
RS |
AM |
Status
|
| 2017 |
2-methyl-2-nitropropane |
+ |
+ |
+ |
|
|
<bib id="TarasovJSC2017" />
|
| 2017-07-12 |
Tryptamine |
+ |
|
|
|
|
<bib id="MarochkinJMS2017" />
|
| 2017-05-19 |
Tetranitromethane |
+ |
|
|
|
XRD |
<bib id="VishnevskiyAC2017" />
|
| 2017-02-20 |
Comparison of diaziridines structures |
|
|
|
|
XRD |
<bib id="KuznetsovSC2017" />
|
| 2017-01-05 |
Clonidine |
+ |
|
|
|
XRD |
<bib id="KolesnikovaPCCP2017" />
|
| 2016-09-23 |
Arsenic pentafluoride |
+ |
|
+ |
|
|
<bib id="KochikovJMS2016" />
|
| 2016-05-03 |
Pyrazinamide |
+ |
|
+ |
|
|
<bib id="TikhonovJMS2017" />
|
| 2016-01-19 |
Histamine |
+ |
+ |
|
|
|
<bib id="TikhonovPCCP2016" />
|
| 2015-12-01 |
9,12-I2-closo-1,2-C2B10H10 |
+ |
|
|
|
NMR |
<bib id="VishnevskiyIC2015" />
|
| 2015-10-13 |
6,6-Dimethyl-1,5-diazabicyclo[3.1.0]hexane |
+ |
|
|
|
|
<bib id="VishnevskiyJPCA2015" />
|
| 2015-10-13 |
3,3-Dimethyl-1,5-diazabicyclo[3.1.0]hexane |
+ |
|
|
|
|
<bib id="VishnevskiyJPCA2015" />
|
| 2015-08-07 |
2-Chloro-3-nitrothiophene |
+ |
|
|
|
|
<bib id="KovtunJMS2015" />
|
| 2015-06-27 |
1,3,5-trinitrobenzene |
+ |
|
+ |
+ |
ND |
<bib id="KhaikinJSC2015" />
|
| 2015-06-27 |
Nitrobenzene |
+ |
+ |
+ |
+ |
|
<bib id="KhaikinJSC2015" />
|
| 2015-01-29 |
3-Nitrostyrene |
+ |
|
|
|
|
<bib id="KovtunJPCA2015" />
|
| 2014-03-07 |
(NC)C(N(CH3)2)(OCH3) |
+ |
|
|
|
|
<bib id="AltovaRJPCA2014" />
|
| 2014-03-07 |
Urotropine |
+ |
|
+ |
+ |
XRD, ND |
<bib id="KhaikinRJPCA2014" />
|
| 2014-03-07 |
Me3SiNCSe |
+ |
|
|
|
|
<bib id="KhaikinRJPCA2014b" />
|
| 2013-07-18 |
Uracil |
+ |
+ |
+ |
+ |
|
<bib id="VogtJMS2013" />
|
| 2012-07-12 |
3-Methyl-1-boraadamantane |
+ |
|
|
|
|
<bib id="VishnevskiyCEJ2012" />
|
| 2012-06-09 |
Formanilide |
+ |
+ |
|
|
|
<bib id="MarochkinSC2013" />
|
| 2011-01-29 |
Barbituric acid |
+ |
|
|
|
|
<bib id="DorofeevaSC2011" />
|
| 2010-12-07 |
N-azidomethylpyrrolidine |
+ |
|
|
|
|
<bib id="DorofeevaPCCP2011" />
|
| 2009-01-05 |
Succinimide |
+ |
|
+ |
+ |
|
<bib id="VogtJPCA2009" />
|
| 2008-07-30 |
Thymine |
+ |
+ |
+ |
+ |
|
<bib id="VogtJPCA2008" />
|
| 2007-06-27 |
1,3-Dihydroxyacetone |
+ |
+ |
|
|
|
<bib id="DorofeevaJPCA2007" />
|
| 2003-04 |
B2F4 |
+ |
|
+ |
+ |
|
<bib id="KochikovSC2003" />
|
| 2001-11-08 |
1,4-disilacyclohexa-2,5-diene |
+ |
|
+ |
+ |
|
<bib id="DakkouriJMS2002" />
|
| 2001-05-22 |
Thiophene |
+ |
+ |
+ |
+ |
|
<bib id="KochikovJMS2001" />
|
Software
Legend:
- DPIP = Diffraction Patterns Initial Processing.
- VPC = Vibrational Parameters Computation (i.e. vibrational amplitudes <math>l</math>, distance corrections, etc.), the data used may be either quadratic and cubic force fields (FF) or molecular dynamics (MD) and Monte-Carlo trajectories (MC).
- SA = Structural Analysis, experimental data that can be used will be given in the parentheses.
| Date |
Topic |
Capabilities |
OS |
Language |
Status
|
| 2016 |
Qassandra |
VPC(MD,MC) |
Linux, Windows |
C |
<bib id="VishnevskiyTCA2016" />
|
| 2008 |
Plate |
DPIP |
Windows |
C++ |
<bib id="KochikovNMP2008" />
|
| 2006 |
UNEX |
DPIP, SA(GED,MW) semi/non-rigid molecules, |
Linux, Windows, OS/2 |
C |
Softeware site
|
| 2001 |
Large |
SA(GED,MW,IR,RS) non-rigid molecules, VPC(FF) |
Windows |
C++ |
<bib id="KochikovJMS2002" />
|
| 1998 |
ElDiff |
SA(GED,MW,IR,RS) semi-rigid molecules, VPC(FF) |
Windows |
C++ |
<bib id="KochikovJMS1998" />
|
| 1985-2011 |
Shrink |
VPC(FF) |
MS DOS, Windows |
Fortran |
<bib id="SipachevJMST1985" />
|
Theoretical Methods
| Date (YYYY-MM-DD) |
Description |
Status
|
| 2016-05-30 |
Method of estimation of pure experimental uncertainties |
<bib id="TikhonovJMS2017" />
|
| 2016-05-30 |
Method of numerical representation of the amount of experimental information in the refined structural parameters |
<bib id="TikhonovJMS2017" />
|
| 2016-05-03 |
Corrections for MD vibrational spectra |
<bib id="TikhonovJCP2016" />
|
| 2016-03-16 |
Quantum-thermal corrections for classical GED vibrational parameters |
<bib id="VishnevskiyTCA2016" />
|
| 2000 |
Conception of the Generalized Inverse Structural Problem |
<bib id="Spiridonov_GISP_2000" />
|
Experimental Methods
| Date |
Description |
Status
|
| 1983 |
Time-resolved gas electron diffraction (stroboscopic GED) |
<bib id="IschenkoAPB1983" />
|
Various
| Date (YYYY-MM-DD) |
Description |
Status
|
| 2016-10-29 |
Planar aromaticity as a perturbed 2D rigid rotor |
<bib id="TikhonovJMM2016" />
|
| 2016-09-15 |
A benchmark for usage of MD in GED and IR |
<bib id="TikhonovPCCP2016-2" />
|
| 2016-06-07 |
A benchmark for usage of MD in GED |
<bib id="TikhonovPCCP2016-1" />
|
Theses
Candidate of Science (Ph.D.)
Doctor of Science (Hab.)
References
<biblist />