Volume 17; Issue 1

Physical Chemistry Chemical Physics

Volume 17; Issue 1

1

Why is sulfuric acid a much stronger acid than ethanol? Determination of the contributions by inductive/field effects and electron-delocalization effects

Lynch, Kevin, Maloney, Adam, Sowell, Austin, Wang, Changwei, Mo, Yirong, Karty, Joel M.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 985 KB

english, 2015

2

The vibrational relaxation of NO in Ar: tunneling in a curve-crossing mechanism

Dashevskaya, E. I., Nikitin, E. E., Troe, J.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.64 MB

english, 2015

3

A green approach to offset the perturbation action of 1-butyl-3-methylimidazolium iodide on α-chymotrypsin

Reddy, P. Madhusudhana, Umapathi, R., Venkatesu, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.77 MB

english, 2015

4

Hidden aspects of the Structural theory of chemistry: MC-QTAIM analysis reveals “alchemical” transformation from a triatomic to a diatomic structure

Goli, Mohammad, Shahbazian, Shant

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 959 KB

english, 2015

5

The identification and characterization of defect states in hybrid organic–inorganic perovskite photovoltaics

Duan, Hsin-Sheng, Zhou, Huanping, Chen, Qi, Sun, Pengyu, Luo, Song, Song, Tze-Bin, Bob, Brion, Yang, Yang

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.77 MB

english, 2015

6

Nanostructure of [Li(G4)] TFSI and [Li(G4)] NO 3 solvate ionic liquids at HOPG and Au(111) electrode interfaces as a function of potential

McLean, Ben, Li, Hua, Stefanovic, Ryan, Wood, Ross J., Webber, Grant B., Ueno, Kazuhide, Watanabe, Masayoshi, Warr, Gregory G., Page, Alister, Atkin, Rob

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.47 MB

english, 2015

7

Interaction of H 2 O and H 2 S with Cu(111) and the impact of the electric field: the rotating & translating adsorbate, and the rippled surface

Chang, Jin Hyun, Huzayyin, Ahmed, Lian, Keryn, Dawson, Francis

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.86 MB

english, 2015

8

Genetics of superionic conductivity in lithium lanthanum titanates

Jay, E. E., Rushton, M. J. D., Chroneos, A., Grimes, R. W., Kilner, J. A.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.37 MB

english, 2015

9

Proton dynamics in oxides: insight into the mechanics of proton conduction from quasielastic neutron scattering

Karlsson, Maths

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.28 MB

english, 2015

10

Enhanced visible light photocatalytic activity of Cu 2 O via cationic–anionic passivated codoping

Jiang, Yao, Yuan, Hongkunag, Chen, Hong

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.05 MB

english, 2015

11

Oxygen vacancy and hole conduction in amorphous TiO 2

Pham, Hieu H., Wang, Lin-Wang

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.02 MB

english, 2015

12

Mechanistic investigation of ion migration in Na 3 V 2 (PO 4 ) 2 F 3 hybrid-ion batteries

Song, Weixin, Ji, Xiaobo, Chen, Jun, Wu, Zhengping, Zhu, Yirong, Ye, Kefen, Hou, Hongshuai, Jing, Mingjun, Banks, Craig. E.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.31 MB

english, 2015

13

Theoretical study of the adsorption of aromatic units on carbon allotropes including explicit (empirical) DFT dispersion corrections and implicitly dispersion-corrected functionals: the pyridine case

Ramos-Berdullas, Nicolás, Pérez-Juste, Ignacio, Van Alsenoy, Christian, Mandado, Marcos

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.76 MB

english, 2015

14

Spectro-microscopic photoemission evidence of charge uncompensated areas in Pb(Zr,Ti)O 3 (001) layers

Popescu, Dana Georgeta, Huşanu, Marius Adrian, Trupinǎ, Lucian, Hrib, Luminiţa, Pintilie, Lucian, Barinov, Alexei, Lizzit, Silvano, Lacovig, Paolo, Teodorescu, Cristian Mihail

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.83 MB

english, 2015

15

Influence of process variables on extraction of Cefalexin in a novel biocompatible ionic liquid based-aqueous two phase system

Abdolrahimi, Shiva, Nasernejad, Bahram, Pazuki, Gholamreza

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.72 MB

english, 2015

16

Fullerene cyanation does not always increase electron affinity: an experimental and theoretical study

Clikeman, Tyler T., Deng, Shihu H. M., Popov, Alexey A., Wang, Xue-Bin, Strauss, Steven H., Boltalina, Olga V.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.31 MB

english, 2015

17

How morphology and surface crystal texture affect thermal stability of a metallic nanoparticle: the case of silver nanobelts and pentagonal silver nanowires

Marzbanrad, Ehsan, Rivers, Geoffrey, Peng, Peng, Zhao, Boxin, Zhou, Norman Y.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 7.71 MB

english, 2015

18

Separating mixtures by exploiting molecular packing effects in microporous materials

Krishna, Rajamani

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 6.54 MB

english, 2015

19

Tuning spin polarization and spin transport of zigzag graphene nanoribbons by line defects

Tang, G. P., Zhang, Z. H., Deng, X. Q., Fan, Z. Q., Zhu, H. L.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.89 MB

english, 2015

20

Nitrogen doped TiO 2 –Cu x O core–shell mesoporous spherical hybrids for high-performance dye-sensitized solar cells

Guo, Enyan, Yin, Longwei

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 4.40 MB

english, 2015

21

The role of Schottky barrier in the resistive switching of SrTiO 3 : direct experimental evidence

Yin, Xue-Bing, Tan, Zheng-Hua, Guo, Xin

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.47 MB

english, 2015

22

A DFT approach to the charge transport related properties in columnar stacked π-conjugated N-heterocycle cores including electron donor and acceptor units

Navarro, Amparo, Fernández-Liencres, M. Paz, García, Gregorio, Granadino-Roldán, José M., Fernández-Gómez, Manuel

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.88 MB

english, 2015

23

A mechanistic investigation of morphology evolution in P3HT–PCBM films induced by liquid crystalline molecules under external electric field

Zhou, Weihua, Shi, Jiangman, Lv, Lingjian, Chen, Lie, Chen, Yiwang

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.71 MB

english, 2015

24

Structures of [Li(glyme)] + complexes and their interactions with anions in equimolar mixtures of glymes and Li[TFSA]: analysis by molecular dynamics simulations

Tsuzuki, Seiji, Shinoda, Wataru, Matsugami, Masaru, Umebayashi, Yasuhiro, Ueno, Kazuhide, Mandai, Toshihiko, Seki, Shiro, Dokko, Kaoru, Watanabe, Masayoshi

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.76 MB

english, 2015

25

Local photo-oxidation of individual single walled carbon nanotubes probed by femtosecond four wave mixing imaging

Aumanen, Jukka, Johansson, Andreas, Herranen, Olli, Myllyperkiö, Pasi, Pettersson, Mika

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 4.15 MB

english, 2015

26

Spectroscopic and ab initio investigation of 2,6-difluorophenylacetylene–amine complexes: coexistence of C–H⋯N and lone-pair⋯π complexes and intermolecular coulombic decay

Mondal, Sohidul Islam, Dey, Arghya, Sen, Saumik, Patwari, G. Naresh, Ghosh, Debashree

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.84 MB

english, 2015

27

Length dependence of electron transport through molecular wires – a first principles perspective

Khoo, Khoong Hong, Chen, Yifeng, Li, Suchun, Quek, Su Ying

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.90 MB

english, 2015

28

Towards chiral distributions of dopants in microporous frameworks: helicoidal supramolecular arrangement of (1R,2S)-ephedrine and transfer of chirality

Gómez-Hortigüela, Luis, Álvaro-Muñoz, Teresa, Bernardo-Maestro, Beatriz, Pérez-Pariente, Joaquín

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 5.20 MB

english, 2015

29

Towards high-level theoretical studies of large biodiesel molecules: an ONIOM [QCISD(T)/CBS:DFT] study of hydrogen abstraction reactions of C n H 2n+1 COOC m H 2m+1 + H

Zhang, Lidong, Zhang, Peng

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.42 MB

english, 2015

30

Structures and optical properties of two phases of SrMgF 4

Yelisseyev, Alexander P., Jiang, Xingxing, Isaenko, Ludmila I., Kang, Lei, Bai, Lei, Lin, Zheshuai, Goloshumova, Alina A., Lobanov, Sergei I., Naumov, Dmitry Y.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.68 MB

english, 2015

31

Electronic effects of ligand substitution on metal–organic framework photocatalysts: the case study of UiO-66

Shen, Lijuan, Liang, Ruowen, Luo, Mingbu, Jing, Fenfen, Wu, Ling

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.69 MB

english, 2015

32

Magnetically recoverable Ni/C catalysts with hierarchical structure and high-stability for selective hydrogenation of nitroarenes

Zhang, Peng, Yu, Chang, Fan, Xiaoming, Wang, Xiuna, Ling, Zheng, Wang, Zonghua, Qiu, Jieshan

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 4.21 MB

english, 2015

33

Interaction of magnetic nanoparticles with phospholipid films adsorbed at a liquid/liquid interface

Cámara, C. I., Monzón, L. M. A., Coey, J. M. D., Yudi, L. M.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.44 MB

english, 2015

34

Spectroscopic and viscometric elucidation of the interaction between a potential chloride channel blocker and calf-thymus DNA: the effect of medium ionic strength on the binding mode

Ganguly, Aniruddha, Ghosh, Soumen, Guchhait, Nikhil

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.32 MB

english, 2015

35

Electrochemical studies of decamethylferrocene in supercritical carbon dioxide mixtures

Branch, Jack A., Cook, David A., Bartlett, Philip N.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.44 MB

english, 2015

36

Water-mediated interactions between trimethylamine-N-oxide and urea

Hunger, Johannes, Ottosson, Niklas, Mazur, Kamila, Bonn, Mischa, Bakker, Huib J.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.33 MB

english, 2015

37

PCCP – A Society journal going from strength to strength

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.82 MB

english, 2015

38

Electron small polarons and their transport in bismuth vanadate: a first principles study

Kweon, Kyoung E., Hwang, Gyeong S., Kim, Jinhan, Kim, Sungjin, Kim, SeongMin

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.95 MB

english, 2015

39

Solvent-mediated molar conductivity of protic ionic liquids

Thawarkar, Sachin, Khupse, Nageshwar D., Kumar, Anil

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.43 MB

english, 2015

40

Trade-offs of the opto-electrical properties of a-Si:H solar cells based on MOCVD BZO films

Chen, Ze, Zhang, Xiao-dan, Liang, Jun-hui, Fang, Jia, Liang, Xue-jiao, Sun, Jian, Zhang, De-kun, Chen, Xin-liang, Huang, Qian, Zhao, Ying

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.55 MB

english, 2015

41

Stacking disorder in ice I

Malkin, Tamsin L., Murray, Benjamin J., Salzmann, Christoph G., Molinero, Valeria, Pickering, Steven J., Whale, Thomas F.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 4.26 MB

english, 2015

42

Coupled organic–inorganic nanostructures (COIN)

Scheele, M., Brütting, W., Schreiber, F.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.00 MB

english, 2015

43

Interaction of gold nanoparticles mediated by captopril and S-nitrosocaptopril: the effect of manganese ions in mild acid medium

Iglesias, Emilia, Prado-Gotor, Rafael

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.41 MB

english, 2015

44

A backside fluorine-functionalized graphene layer for ammonia detection

Katkov, M. V., Sysoev, V. I., Gusel'nikov, A. V., Asanov, I. P., Bulusheva, L. G., Okotrub, A. V.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.27 MB

english, 2015

45

Enhancement of hydrogen production using photoactive nanoparticles on a photochemically inert photonic macroporous support

Mitchell, Robert, Brydson, Rik, Douthwaite, Richard E.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.49 MB

english, 2015

46

A phase field model coupling lithium diffusion and stress evolution with crack propagation and application in lithium ion batteries

Zuo, Peng, Zhao, Ya-Pu

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.50 MB

english, 2015

47

On the mechanism of nanoparticle formation in a flame doped by iron pentacarbonyl

Poliak, Marina, Fomin, Alexey, Tsionsky, Vladimir, Cheskis, Sergey, Wlokas, Irenaeus, Rahinov, Igor

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.98 MB

english, 2015

48

Kinetic dielectric decrement revisited: phenomenology of finite ion concentrations

Sega, Marcello, Kantorovich, Sofia, Arnold, Axel

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.58 MB

english, 2015

49

Oxidation behavior of P3HT layers on bare and TiO 2 -covered ZnO ripple structures evaluated by photoelectron spectroscopy

Kim, Dae Han, Jeong, Myung-Geun, Seo, Hyun Ook, Kim, Young Dok

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.67 MB

english, 2015

50

Packing and mobility of hydrocarbon chains in phospholipid lyotropic liquid crystalline lamellar phases and liposomes: characterisation by positron annihilation lifetime spectroscopy (PALS)

Dong, Aurelia W., Fong, Celesta, Waddington, Lynne J., Hill, Anita J., Boyd, Ben J., Drummond, Calum J.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.87 MB

english, 2015

51

Enhancing spectral shifts of plasmon-coupled noble metal nanoparticles for sensing applications

Göeken, Kristian L., Subramaniam, Vinod, Gill, Ron

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.04 MB

english, 2015

52

Molecular insight into nanoscale water films dewetting on modified silica surfaces

Zhang, Jun, Li, Wen, Yan, Youguo, Wang, Yefei, Liu, Bing, Shen, Yue, Chen, Haixiang, Liu, Liang

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.32 MB

english, 2015

53

Dual relaxation and structural changes under uniaxial strain in main-chain smectic-C liquid crystal elastomer

Agra-Kooijman, Dena M., Fisch, Michael R., Joshi, Leela, Ren, Wanting, McMullan, Philip J., Griffin, Anselm C., Kumar, Satyendra

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 6.91 MB

english, 2015

54

Strong temperature-dependent crystallization, phase transition, optical and electrical characteristics of p-type CuAlO 2 thin films

Liu, Suilin, Wu, Zhiheng, Zhang, Yake, Yao, Zhiqiang, Fan, Jiajie, Zhang, Yiqiang, Hu, Junhua, Zhang, Peng, Shao, Guosheng

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.87 MB

english, 2015

55

Chemical imaging of single catalyst particles with scanning μ-XANES-CT and μ-XRF-CT

Price, S. W. T., Ignatyev, K., Geraki, K., Basham, M., Filik, J., Vo, N. T., Witte, P. T., Beale, A. M., Mosselmans, J. F. W.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.51 MB

english, 2015

56

Direct observation of key photoinduced dynamics in a potential nano-delivery vehicle of cancer drugs

Sardar, Samim, Chaudhuri, Siddhi, Kar, Prasenjit, Sarkar, Soumik, Lemmens, Peter, Pal, Samir Kumar

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 4.56 MB

english, 2015

57

Lithium conductivity in glasses of the Li 2 O–Al 2 O 3 –SiO 2 system

Ross, Sebastian, Welsch, Anna-Maria, Behrens, Harald

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.48 MB

english, 2015

58

Plasma-induced grafting of polyacrylamide on graphene oxide nanosheets for simultaneous removal of radionuclides

Song, Wencheng, Wang, Xiangxue, Wang, Qi, Shao, Dadong, Wang, Xiangke

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.90 MB

english, 2015

59

Surface conformations of an anti-ricin aptamer and its affinity for ricin determined by atomic force microscopy and surface plasmon resonance

Wang, B., Lou, Z., Park, B., Kwon, Y., Zhang, H., Xu, B.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.58 MB

english, 2015

60

Noteworthy performance of La 1−x Ca x MnO 3 perovskites in generating H 2 and CO by the thermochemical splitting of H 2 O and CO 2

Dey, Sunita, Naidu, B. S., Govindaraj, A., Rao, C. N. R.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.20 MB

english, 2015

61

The photoformation of a phthalide: a ketene intermediate traced by FSRS

Fröbel, Sascha, Buschhaus, Laura, Villnow, Torben, Weingart, Oliver, Gilch, Peter

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.90 MB

english, 2015

62

Electronic structure and spectra of (Cu 2 O) n –H 2 O complexes

Petsalakis, Ioannis D., Theodorakopoulos, Giannoula, Whitten, Jerry

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.36 MB

english, 2015

63

The role of an active site Mg 2+ in HDV ribozyme self-cleavage: insights from QM/MM calculations

Mlýnský, Vojtěch, Walter, Nils G., Šponer, Jiří, Otyepka, Michal, Banáš, Pavel

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.20 MB

english, 2015

64

Enhancement of ORR catalytic activity by multiple heteroatom-doped carbon materials

Kim, Dae-wook, Li, Oi Lun, Saito, Nagahiro

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.55 MB

english, 2015

65

The influence of the electrolyte on chemical and morphological modifications of an iron sulfide thin film negative electrode

Liao, Feng, Światowska, Jolanta, Maurice, Vincent, Seyeux, Antoine, Klein, Lorena H., Zanna, Sandrine, Marcus, Philippe

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 4.74 MB

english, 2015

66

Why genetic modification of lignin leads to low-recalcitrance biomass

Carmona, Christopher, Langan, Paul, Smith, Jeremy C., Petridis, Loukas

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.78 MB

english, 2015

67

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2015

File:

PDF, 719 KB

2015

68

The electron depolarization during dynamic nuclear polarization: measurements and simulations

Hovav, Y., Kaminker, I., Shimon, D., Feintuch, A., Goldfarb, D., Vega, S.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 5.29 MB

english, 2015

69

Exploring the complexity of quantum control optimization trajectories

Nanduri, Arun, Shir, Ofer M., Donovan, Ashley, Ho, Tak-San, Rabitz, Herschel

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.67 MB

english, 2015

70

The accurate calculation of the band gap of liquid water by means of GW corrections applied to plane-wave density functional theory molecular dynamics simulations

Fang, Changming, Li, Wun-Fan, Koster, Rik S., Klimeš, Jiří, van Blaaderen, Alfons, van Huis, Marijn A.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 4.78 MB

english, 2015

71

Photodesorption of water from rutile(110): ab initio calculation of five-dimensional potential energy surfaces of ground and excited electronic states and wave packet studies

Mitschker, Jan, Klüner, Thorsten

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 5.23 MB

english, 2015

72

Spin-crossover in phenylazopyridine-functionalized Ni–porphyrin: trans–cis isomerization triggered by π–π interactions

Alcover-Fortuny, Gerard, de Graaf, Coen, Caballol, Rosa

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.94 MB

english, 2015

73

Contents list

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 10.59 MB

english, 2015

74

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.26 MB

english, 2015

75

Formation of 2- and 1-methyl-1,4-dihydronaphthalene isomers via the crossed beam reactions of phenyl radicals (C 6 H 5 ) with isoprene (CH 2 C(CH 3 )CHCH 2 ) and 1,3-pentadiene (CH 2 CHCHCHCH 3 )

Yang, Tao, Muzangwa, Lloyd, Parker, Dorian S. N., Kaiser, Ralf I., Mebel, Alexander M.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.30 MB

english, 2015