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在“Elsevier电子期刊”中，命中：63,577条，耗时：0.2898352 秒

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1.The molecular structure of tris(dipivaloylmethanato) thulium: Gas-phase electron diffraction and quantum chemical calculations

作者：Oleg A. Pimenov ; ^{oleg.pimenov1988@mail.ru} ; Natalya V. Belova ; Valery V. Sliznev

关键词：Lanthanide dipivaloylmethanato ; Gas-phase electron diffraction ; Quantum chemical calculations ; Molecular structure ; Internal rotation ; NBO analysis ; QTAIM

刊名：Journal of Molecular Structure

出版年：2017

2.Chemical bonding and electronic-structure in MAX phases as viewed by X-ray spectroscopy and density functional theory

作者：Martin Magnuson^a ; ^{Martin.Magnuson@liu.se} ; Maurizio Mattesini^b ; ^c

关键词：Nanolaminates ; Chemical bonding ; X-ray emission spectroscopy ; Electronic Structure calculations ; Elastic and magnetic properties ; Seebeck measurements

刊名：Thin Solid Films

出版年：2017

3.Prediction of heat capacities of ionic liquids using chemical structure based networks

作者：Ali Barati-Harooni^a ; ^{alibarati.2012@yahoo.com} ; Adel Najafi-Marghmaleki^a ; Amir H Mohammadi^b ; ^c ; ^d ; ^{a.h.m@irgcp.fr} ; ^{amir_h_mohammadi@yahoo.com}

关键词：Ionic liquid (IL) ; Heat capacity ; Chemical structure ; Model ; Radial basis function neural network (RBF-NN) ; Multilayer Perceptron Neural Network (MLP-NN)

刊名：Journal of Molecular Liquids

出版年：2017

4.Impacts of chemical fractionation on Zhundong coal's chemical structure and pyrolysis reactivity

作者：Yan Zhao ; Li Liu ; Peng-Hua Qiu ; ^{qiuph@hit.edu.cn" class="auth_mail" title="E-mail the corresponding author} ; Xing Xie ; Xi-Ye Chen ; Dan Lin ; Shao-Zeng Sun

关键词：Zhundong coal ; Chemical fractionation ; FT-IR ; Curve fitting ; Infrared structural parameter

刊名：Fuel Processing Technology

出版年：2017

5.Effect of chemical composition and structure of asphalt binders on self-healing

作者：Daquan Sun^a ; Fan Yu^a ; Lihan Li^a ; Tianban Lin^a ; X.Y. Zhu^a ; ^b ; ^{zhuxingyi66@aliyun.com}

关键词：Self-healing ; Asphalt binder ; Chemical composition and structure ; Grey relational analysis

刊名：Construction and Building Materials

出版年：2017

6.Distinctive features of the structure of hemihexaphyrazine complexes with Y, La, and Lu according to quantum chemical data

作者：Yuriy A. Zhabanov^a ; ^{zhabanov@gmail.com} ; Nina I. Giricheva^b ; Alexander V. Zakharov^a ; Mikhail K. Islyaikin^a

关键词：Macroheterocycle ; Hemihexaphyrazine ; Yttrium ; Lanthanum and lutetium complexes ; Molecular structure ; Nature of coordination bonds ; Transition barriers ; Lanthanide contraction

刊名：Journal of Molecular Structure

出版年：2017

7.Molecular structure of gaseous isatin as studied by electron diffraction and quantum chemical calculations

作者：Alexander V. Belyakov^a ; ^{belyakov@lti-gti.ru} ; Kirill O. Nikolaenko^a ; Pavel B. Davidovich^a ; Anatolii D. Ivanov^a ; Alexander V. Garabadzhiu^a ; Anatolii N. Rykov^b ; Igor F. Shishkov^b

关键词：Indole-2 ; 3-dione ; Isatin ; Molecular structure ; Gas-phase electron diffraction ; Aromaticity ; Induced current density ; NBO ; NICS ; HOMA ; ACID ; ICSS

刊名：Journal of Molecular Structure

出版年：2017

8.Structure evolution upon chemical and physical pressure in (Sr_1−xBa_x)₂FeSbO₆

作者：T. Tiittanen ; M. Karppinen ; ^{maarit.karppinen@aalto.fi}

关键词：High-pressure synthesis ; Chemical pressure ; Double perovskite ; Crystal structure ; Cation order

刊名：Journal of Solid State Chemistry

出版年：2017

9.Effect of chemical state and occupation site of RE (RE = Yb, Y, Eu, Sm, Nd) on crystal structure and optical property of BaCe_1-xRE_xO_3-_δ —Analyses of origin of peculiar crystal structure and property of BaCe_1-xNd_xO_3-δ

作者：Eiki Niwa^a ; ¹ ; Tomomi Hosaka^b ; Takahiro Onoe^b ; Misa Shimizu^b ; Yoshikiyo Hatakeyama^a ; Ken Judai^a ; ^b ; Fumito Fujishiro^c ; Takuya Hashimoto^a ; ^b ; ^{takuya@chs.nihon-u.ac.jp}

关键词：A. Oxide ; B. Optical property ; C. X-ray diffraction ; D. Crystal structure ; D. Defect

刊名：Materials Research Bulletin

出版年：2017

10.Improving the performance of solar cells with novel buffer structure by the chemical bath deposition technique

作者：Jia-Show Ho^a ; ^b ; Shih-Cheng Chang^a ; Jyh-Jier Ho^a ; ^{jackho@mail.ntou.edu.tw} ; Wei-Tse Hsu^c ; Chien-Chih Chiang^c ; Song-Yeu Tsai^c ; Sheng-Shih Wang^a ; Cheng-Kai Lin^d ; Chau-Chang Chou^a ; Chi-Hsiao Yeh^d ; Kang L. Wang^b

关键词：Cu(ln ; Ga)Se2 (CIGS) solar cells ; Chemical bath deposition (CBD) ; ZnS/CdS-buffer ; Anti-reflective effect ; Commercial PV applications

刊名：Materials Science in Semiconductor Processing

出版年：2017

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