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Journal Article
2. Full Text Binuclear chromium carbonyl complexes of methylaminobis(difluorophosphine): metal-metal bonds versus four-electron donor bridging carbonyl groupsElectronic supplementary information (ESI) available: Tables S1 to S10: energies (E, in kcal mol−1), relative energies (ΔE, in kcal mol−1), and numbers of imaginary vibrational frequencies (Nimg) for the twelve optimized [MeN(PF2)2]mCr2(CO)n (m = 1, n = 10, 9, 8; m = 2, n = 8, 7, 6; and m = 3, n = 6, 5, 4) structures using the M06-L/TZP method; Tables S11 to S18: infrared active ν(CO) frequencies (cm−1) predicted for [MeN(PF2)2]mCr2(CO)n (m = 1, n = 10, 9, 8; m = 2, n = 8, 7, 6; and m = 3, n = 6, 5, 4) structures at the M06-L/TZP level; Tables S19 to S40: atomic coordinates for [MeN(PF2)2]mCr2(CO)n (m = 1, n = 10, 9, 8; m = 2, n = 8, 7, 6; and m = 3, n = 6, 5, 4) structures at the M06-L/TZP levels; Tables S41 to S54: energies (E, in kcal mol−1), relative energies (ΔE, in kcal mol−1), and numbers of imaginary vibrational frequencies (Nimg) for the 26 optimized [MeN(PF2)2]mCr2(CO)n (m = 1, n = 10, 9, 8; m = 2, n = 8, 7, 6; and m = 3, n = 6, 5, 4) structures using the B3LYP/DZP and BP86/DZP methods; Fig. S1 to S9: optimized structures for [MeN(PF2)2]mCr2(CO)n (m = 1, n = 10, 9, 8; m = 2, n = 8, 7, 6; and m = 3, n = 6, 5, 4; and m = 3, n = 6, 5, 4) by the B3LYP/DZP and BP86/DZP methods; Tables S55 to S63: infrared active ν(CO) frequencies (cm−1) predicted for [MeN(PF2)2]mCr2(CO)n (m = 1, n = 10, 9, 8; m = 2, n = 8, 7, 6; and m = 3, n = 6, 5, 4) structures at the B3LYP/DZP and BP86/DZP levels; Tables S64 to S99: atomic coordinates for [MeN(PF2)2]mCr2(CO)n (m = 1, n = 10, 9, 8; m = 2, n = 8, 7, 6; and m = 3, n = 6, 5, 4) structures at the B3LYP/DZP and BP86/DZP levels; Tables S100 to S108: atomic coordinates for the lowest-energy open-shell singlet structures of [MeN(PF2)2]mCr2(CO)n (m = 1, n = 10, 9, 8; m = 2, n = 8, 7, 6; and m = 3, n = 6, 5, 4) at the M06-L/TZP level; Tables S109 to S111: total energies (E, in kcal mol−1) and numbers of imaginary vibrational frequencies (Nimg) for the open-shell singlet structures of [MeN(PF2)2]mCr2(CO)n (m = 1, n = 10, 9, 8; m = 2, n = 8, 7, 6; and m = 3, n = 6, 5, 4) using the M06-L/TZP method; Fig. S10 to S13: the frontier molecular orbital graphs of the unpaired electrons in the four open-shell triplet structures. See DOI: 10.1039/c7nj00295e
ISSN 1144-0546, 3/2017, Volume 41, Issue 7, pp. 2625 - 2635
Binuclear chromium carbonyl complexes of the general type [MeN(PF 2 ) 2 ] m Cr 2 (CO) n , including the experimentally known [MeN(PF 2 ) 2 ] 3 Cr 2 (CO) n ( n... 
Journal Article
Scientific Reports, ISSN 2045-2322, 12/2016, Volume 6, Issue 1, p. 39280
We report the comprehensive studies between synchrotron X-ray diffraction, electrical resistivity and magnetic susceptibility experiments for the iron... 
X-ray diffraction | GTP-binding protein | Iron | Diffraction | X rays | Magnetic susceptibility | MATERIALS SCIENCE
Journal Article
Journal of Physical Chemistry C, ISSN 1932-7447, 04/2015, Volume 119, Issue 14, pp. 7648 - 7655
Understanding ion transport in electrolytes is crucial for fabricating high-performance batteries. Although several ionic liquids have been explored for use as... 
PHYSICOCHEMICAL PROPERTIES | POSITIVE ELECTRODE | TEMPERATURE | NAFSA-KFSA | CONDUCTIVITY | MOLTEN-SALTS | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | VISCOSITY | POLYMER ELECTROLYTES | 363 K
Journal Article
7. Full Text Binuclear nickel carbonyls with the small bite chelating diphosphine ligands methylaminobis(difluorophosphine) and methylenebis(dimethylphosphine): formation of Ni&z.dbd;Ni double bonds in preference to ligand cleavageElectronic supplementary information (ESI) available: Tables S1 to S4: the ν(CO) vibrational frequencies (cm−1) for the [MeN(PF2)2]Ni2(CO)n (n = 6, 5, 4), [MeN(PF2)2]2Ni2(CO)n (n = 4, 3, 2), [(Me2P)2CH2]Ni2(CO)n (n = 6, 5, 4), and [(Me2P)2CH2]2Ni2(CO)n (n = 4, 3, 2) singlet structures at the M06-L/TZP level. Tables S5 to S8: infrared active ν(CO) vibrational frequencies (cm−1) predicted for the singlet and triplet sturctures of [MeN(PF2)2]Ni2(CO)n (n = 6, 5, 4), [MeN(PF2)2]2Ni2(CO)n (n = 4, 3, 2), [(Me2P)2CH2]Ni2(CO)n (n = 6, 5, 4), and [(Me2P)2CH2]2Ni2(CO)n (n = 4, 3, 2) singlet and triplet structures at BP86/DZP and B3LYP/DZP levels. Tables S9 to S20: total energies (E, in hartree), relative energies (ΔE, in kcal mol−1), numbers of imaginary vibrational frequencies (Nimg) at the M06-L/TZP level for the singlet structures of [MeN(PF2)2]Ni2(CO)n (n = 6, 5, 4), [MeN(PF2)2]2Ni2(CO)n (n = 4, 3, 2), [(Me2P)2CH2]Ni2(CO)n (n = 6, 5, 4), and [(Me2P)2CH2]2Ni2(CO)n (n = 4, 3, 2). Tables S21 to S33: total energies (E, in hartree), relative energies (ΔE, in kcal mol−1), spin square values 〈S2〉, number of imaginary vibrational frequencies (Nimg) at the B3LYP/DZP and BP86/DZP levels of the theory for the singlet and triplet structures of [MeN(PF2)2]Ni2(CO)n (n = 6, 5, 4), [MeN(PF2)2]2Ni2(CO)n (n = 4, 3, 2), [(Me2P)2CH2]Ni2(CO)n (n = 6, 5, 4), and [(Me2P)2CH2]2Ni2(CO)n (n = 4, 3, 2). Fig. S1: the one triplet structure found for [(Me2P)2CH2]Ni2(CO)4 at the M06-L/TZP level of theory. Fig. S2 to S13: optimized singlet and triplet structures for [MeN(PF2)2]Ni2(CO)n (n = 6, 5, 4), [MeN(PF2)2]2Ni2(CO)n (n = 4, 3, 2), [(Me2P)2CH2]Ni2(CO)n (n = 6, 5, 4), and [(Me2P)2CH2]2Ni2(CO)n (n = 4, 3, 2) by the B3LYP and BP86 methods. Table S34: theoretical Cartesian coordinates (in Å) for the singlet structures at the M06-L/TZP level. Table S35: theoretical Cartesian coordinates (in Å) for the singlet and triplet structures at BP86/DZP level; complete Gaussian 09 reference (ref. 26). See DOI: 10.1039/c5ra22169b
02/2016, Volume 6, Issue 2, pp. 16131 - 1614
The structures and thermochemistry of the triads of binuclear nickel carbonyl complexes (bid)Ni 2 (CO) n ( n = 6, 5, 4) and (bid) 2 Ni(CO) n ( n = 4, 3, 2) of... 
Journal Article
by Aaboud, M and Aad, G and Abbott, B and Abdinov, O and Abeloos, B and Abidi, S H and AbouZeid, O S and Abraham, N L and Abramowicz, H and Abreu, H and Abulaiti, Y and Acharya, B S and Adachi, S and Adamczyk, L and Adelman, J and Adersberger, M and Adye, T and Affolder, A A and Afik, Y and Agheorghiesei, C and Aguilar-Saavedra, J A and Ahmadov, F and Aielli, G and Akatsuka, S and Åkesson, T P. A and Akilli, E and Akimov, A V and Alberghi, G L and Albert, J and Albicocco, P and Alconada Verzini, M J and Alderweireldt, S and Aleksa, M and Aleksandrov, I N and Alexa, C and Alexander, G and Alexopoulos, T and Alhroob, M and Ali, B and Alimonti, G and Alison, J and Alkire, S P and Allaire, C and Allbrooke, B M. M and Allen, B W and Allport, P P and Aloisio, A and Alonso, A and Alonso, F and Alpigiani, C and Alshehri, A A and Alstaty, M I and Alvarez Gonzalez, B and Álvarez Piqueras, D and Alviggi, M G and Amadio, B T and Amaral Coutinho, Y and Ambroz, L and Amelung, C and Amidei, D and Amor Dos Santos, S P and Amoroso, S and Amrouche, C S and Anastopoulos, C and Ancu, L S and Andari, N and Andeen, T and Anders, C F and Anders, J K and Anderson, K J and Andreazza, A and Andrei, V and Angelidakis, S and Angelozzi, I and Angerami, A and Anisenkov, A V and Annovi, A and Antel, C and Anthony, M T and Antonelli, M and Antrim, D J. A and Anulli, F and Aoki, M and Aperio Bella, L and Arabidze, G and Arai, Y and Araque, J P and Araujo Ferraz, V and Pereira, R Araujo and Arce, A T. H and Ardell, R E and Arduh, F A and Arguin, J-F and Argyropoulos, S and Armbruster, A J and Armitage, L J and Arnaez, O and Arnold, H and Arratia, M and Arslan, O and ...
The European Physical Journal C, ISSN 1434-6044, 9/2018, Volume 78, Issue 9, pp. 1 - 28
A measurement of $$J/\psi $$ J/ψ and $$\psi (2\mathrm {S})$$ ψ(2S) production is presented. It is based on a data sample from Pb+Pb collisions at... 
Nuclear Physics, Heavy Ions, Hadrons | Measurement Science and Instrumentation | Nuclear Energy | Quantum Field Theories, String Theory | Physics | Elementary Particles, Quantum Field Theory | Astronomy, Astrophysics and Cosmology
Journal Article
Circuits, Systems, and Signal Processing, ISSN 0278-081X, 11/2017, Volume 36, Issue 11, pp. 4593 - 4614
Journal Article