International Conference
"Modern Aspects of Structural Chemistry"
05.06.2016 - 07.06.2016
University of Ulm, Ulm

supported by
Dr. Barbara Mez-Starck Foundation

Program

05.06.2016
Hotel Stern

18:00 - 20:00 Welcome for participants from abroad

06.06.2016
Villa Eberhardt (Universität Ulm),

Heidenheimer Strasse 80

8:30 Registration
9:15 Jürgen Vogt, Natalja Vogt
        Opening

Session AChairman: Hans-Ullrich Siehl
9:30A1

Peter Schwerdtfeger (Auckland, New Zealand)
"From graphene to graphyne, fullerenes, fulleroides, gaudienes and their golden duals."

10:15A2Anatoly Yagola (Moscow, Russia)
"Inverse problems of vibrational spectroscopy and structural chemistry."
10:35Coffee break
Session BChairman: Wolfgang Hüttner
11:10B1Jean Demaison, Heinz D. Rudolph, and Natalja Vogt (Ulm, Germany)
"Accuracy in spectroscopy."
11:50B2Leonid Surin (Troitsk, Russia and Cologne, Germany)
"Experiment and computation: a combined approach to study the NH3 - H2 van der Waals complex."
12:15B3

Yury Tarasov, Igor Kochikov, and Dmitry Kovtun (Moscow, Russia)
"Some examples of large amplitude dynamics in gas electron diffraction."

12:45Conference photo
13:00Lunch break
Session CChairman: Marwan Dakkouri
14:00C1Norbert Mitzel (Bielefeld, Germany)
"Structural chemistry in different phases: what can we learn about chemical  bonding from experiments with different methods."
14:45C2Denis Tikhonov (Bielefeld, Germany)
"Molecular dynamics and Monte-Carlo simulations in structural investigations of free molecules."
15:30Coffee break
Session DChairman: Gerhard Taubmann
16:00 D1Yury Vishnevskiy (Bielefeld, Germany)
"How experimental are structures refined from gas electron diffraction data?"
16:20D2Gulnara Kuramshina (Moscow, Russia)
"Schemes of correction of quantum mechanical force fields in different coordinates."
19:00Dinner party (outside of University)

07.06.2016
Universität Ulm-West

Session EChairman: Jürgen Vogt
10:00E1Ilya Marochkin and Natalja Vogt (Moscow, Russia and Ulm, Germany)
"Equilibrium structure of picolinic acid from gas electron diffraction data and quantum chemical calculations."
10:20E2

Natalja Vogt and Jean Demaison (Ulm, Germany)
"Benchmark study of molecular structures by different experimental methods and coupled-cluster calculations."

10:40E3Ekaterina Altova and Natalja Vogt (Moscow, Russia and Ulm, Germany)
"Molecular structure of orotic acid as studied by gas-phase electron diffraction and quantum chemical calculations."
11:00Discussion
12:30Lunch break
14:00 Excursion

Organizing Commitee

Jürgen Vogt

Natalja Vogt

Rainer Rudert

Local Commitee

Margit Nägele

Sabine Schlagenhauf

Karola Deutzmann