Journal of Physical Chemistry & Biophysics
Open Access

5^th International Conference on Physical and Theoretical Chemistry

October 11- 13, 2018 | Edinburgh, Scotland

Scientific Tracks Abstracts

• Vanadium NMR chemical shift in vanadium complex catalyst: a cooperation of QC calculation and MLR analysis

  Masahiko Hada, Jun Yi, Kotohiro Nomura, Wen Hua Sun and Wenhong Yang

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• Experimental and computational studies on the ground state of an isolated Fe(ii) Phthalocyanine

  Dana Nachtigallova

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• Quantum chemical study on tuning thiol-ene polymerization

  Isa Degirmenci

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• Generalized coordinates hybrid Monte Carlo using high speed robotics algorithms

  Laurentiu Spiridon and David Minh

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• Interatomic Coulombic decay mediated by ultrafast superexchange energy transfer

  Tsveta Miteva, Sevan Kazandjian, Premysl Kolorenc, Petra Votavova and Nicolas Sisourat

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• A smart strategy for finding global minima of microhydrated biomolecules with minimal DFT calculations

  Kyung Yup Baek, Yeonjoon Kim, Jaewook Kim and Woo Youn Kim

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• Atomistic insights into electrochemical interfaces by ab initio simulations and in-situ characterizations

  Tadashi Ogitsu

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• Structure and spectroscopy of E and Z isomers of Boc-Gly-Phe-NHMe

  Małgorzata A Broda, Teobald Kupk and Aneta Buczek

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• Understanding the non-covalent interaction mediated modulations to the electronic structure of quasi-zero-dimensional graphene nanoflakes

  Amrit Sarmah and Pavel Hobza

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• Remake of the non-linear dielectric effect in investigations of structure of liquids

  K Orzechowski, M Bulak, K Kułacz and K Małycha

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• Slowing-down of Pt reduction kinetics in micro emulsions: a computer simulation study

  Concha Tojo

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• Modeling reaction kinetics of twin polymerization via differential scanning calorimetry

  Janett Prehl, Karl Heinz Hoffmann and Peter Salamon

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• The O + O2 exchange reaction: symmetry, isotope effects, and influence of molecular forces

  Gregoire Guillon, Pascal Honvault, Roman Kochanov and Vladimir Tyuterev

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• Tuning optical and catalytic properties of ligated noble metal clusters by synergistic role of metallic and organic subunits

  Vlasta Bonacic-Koutecky

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• Non-isothermal physico-chemical processes in superfluid helium

  Eugene B Gordon

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• Versatile approach combining theoretical and experimental aspects of Raman spectroscopy to investigate battery materials

  Mouna Ben Yahia

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• Photochemistry of acetohydroxamic acid in solid argon: FTIR and theoretical studies

  Magdalena Sałdyka

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• Excited states deactivation in model proteins chains: nonadiabatic dynamics simulations and ab initio methods

  Valerie Brenner, T. Very, S. Hoya, N. Ben Amor, E. Gloaguen and M. Mons

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• Computational and empiric considerations regarding electrocatalytic reduction of CO2 by water soluble cobalt porphyrins

  Y Ben Eliyahu, Y Bochlin, S Kozuch, E Korin and A Bettelheim

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• Coordination chemistry in pyridine and imidazole compounds containing gem-diol moieties: solidstate NMR and X-Ray studies

  Juan M Lazaro Martinez, Ayelen F Crespi, Yamila Garro Linck, Daniel Vega and Viviana Campodall Orto

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• Surface reactivity of layered manganese oxides: an experimental and theoretical approach

  Germain Vallverdu, Ambroise Quesne-Turin, Delphine Flahaut, Laurence Croguennec, Michel Menetrie and Isabelle Baraille

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• Multiple interacting collective modes and phonon gap in phospholipid membranes

  Giovanna D Angelo, Valeria Conti Nibali, Ulderico Wanderlingh, Caterina Branca, Alessio De Francesco, Francesco Sacchetti, Caterina Petrillo andAlessandro Paciaroni

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• Dynamical and structural characterization of thermally responsive pluronic-based nano-delivery systems

  Caterina Branca, Giovanna D Angelo and Ulderico Wanderlingh

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• Transition metal systems: a theoretical modeling of their L 2, 3-edge X-ray absorption spectra

  Silvia Carlotto

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• Application of combined electrochemical reactions for extraction of metals from metal-containing waste

  Sharipov Rustam Hasanovich

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• Composition for reducing the pour point of diesel fuel

  Myrzakhanov M.M

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