Single-chain polybutadiene organometallic nanoparticles: An experimental and theoretical study Inbal Berkovich,a Sudheendran Mavila,a Olga Iliashevsky,b Sebastian Kozucha,c and N. G. Lemcoffa* a Department of Chemistry, Ben-Gurion University of the Negev, Beer-Sheva 84105, Israel b Department of Chemical Engineering, Ben-Gurion University of the Negev, Beer-Sheva 84105, Israel c Lise Meitner Mi...

Vladimiro Mujica‡ Computational Chemistry Group, NIST Center for Theoretical and Computational Nanosciences, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA; Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208-3113, USA; Argonne National Laboratory, Center for Nanoscale Materials, Argonne, Illinois 60439-4831, USA; and...

1 Karlsruhe Institute of Technology, Institute of Nanotechnology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany 2 On leave from the Slovak Academy of Sciences, 04353 Košice, Slovakia 3 Leibniz University Hannover, Institute of Physical Chemistry and Electrochemistry, Callinstr. 3a, 30167 Hannover, Germany 4 Braunschweig University of Technology, Institute of Physical an...

G. P. Zhang, Xiaojie Liu, C. Z. Wang, Y. X. Yao, W. C. Lu and K. M. Ho Ames Laboratory, U. S. Department of Energy, and Department of Physics and Astronomy, Iowa State University, Ames, IA 50011, USA Department of Physics, Renmin University of China, Beijing 100872, China Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, Jili...

Madhavan Jaccob , Gopal Sabapathi, J Vijaya Sundar, P Kolandaivel *, V Subramanian * & Ponnambalam Venuvanalingam * Theoretical and Computational Chemistry Laboratory, School of Chemistry, Bharathidasan University, Tiruchirappalli 620 024, Tamil Nadu, India Email: [email protected] Chemical Laboratory, CSIR-Central Leather Research Institute, Adyar, Chennai 600 020, Tamil Nadu, India Ema...

the intermolecular forces between water molecules are of great importance in many areas of chemistry including solvation, solution chemistry, and biochemistry. as a result of this (h2o)n systems have received a great significant of attention, both experimental and theoretical. all calculation of this study are carried out by gaussian 98 soft ware. geometry optimization for each cluster were be ...

adsorption on Pt monolayer island modified Ru(0001) electrodes Sung Sakong, Julia M. Fischer, David Mahlberg, R. Jürgen Behm, and Axel Groß Institute of Theoretical Chemistry, Ulm University, D-89069 Ulm, Germany Australian Institute for Bioengineering and Nanotechnology, The University of Queensland, St Lucia QLD 4072, Australia Institute of Surface Chemistry and Catalysis, Ulm University, D-8...

C. de Graaf, ∗ C. Sousa, and R. Broer Department of Physical and Inorganic Chemistry, Universitat Rovira i Virgili Plaça Imperial Tàrraco 1, 43005 Tarragona, Spain Departament de Qúımica F́ısica and Parc Cient́ıfic, Universitat de Barcelona C/ Mart́ı i Franquès 1, 08028 Barcelona, Spain Theoretical Chemistry, Materials Science Centre, Rijksuniversiteit Groningen Nijenborgh 4, 9747 AG Groningen, Th...

Discussing the relationship of mathematics to chemistry is closely related to the emergence of physical chemistry and of quantum chemistry. We argue that, perhaps, the most significant issue that the ‘mathematization of chemistry’ has historically raised is not so much methodological, as it is philosophical: the discussion over the ontological status of theoretical entities which were introduce...