首页>外文期刊>其他>Acta Crystallographica Section B

Acta Crystallographica Section B

中文名称：晶体学报B版

ISSN：1600-5740
出版周期：

发文量：209

期刊论文

热门论文

年度选择

2012
- 第1期
- 第2期
- 第3期
- 第4期
- 第5期
- 第6期
2011
- 第1期
- 第2期
- 第3期
- 第4期
- 第5期
- 第6期
2010
- 第1期
- 第2期
- 第3期
- 第4期
- 第5期
- 第6期

更多>>

全选（0）

1.Determination of the local structure of a cage with an oxygen ion in Ca₁₂Al₁₄O₃₃

机译：Ca _{12 Al _{14 O _{33 中带有氧离子的笼子局部结构的确定}}}
- 作者：Terutoshi Sakakura Kiyoaki Tanaka Yasuyuki Takenaka Satoru Matsuishi Hideo Hosono Shunji Kishimoto
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第3期
- mayenite;
- local structure;
- occupied cage;
- cage distortion;
- electrostatic potential;
2.Solid-state and gas-phase structures of two conformers of N-(4-methylphenyl)-N′,N′′-bis(morpholinyl) phosphoric triamide; insights from X-ray crystallography and DFT calculations

机译：N-（4-甲基苯基）-N'，N'-双（吗啉基）磷酸三酰胺的两个构象体的固态和气相结构； X射线晶体学和DFT计算的见解
- 作者：Khodayar Gholivand Hamid Reza Mahzouni
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第3期
- conformer;
- density functional theory;
- hydrogen bonding;
- phosphoric triamide;
- X-ray crystallography;
3.The effect of pressure on the crystal structure of bianthrone

机译：压力对联蒽酮晶体结构的影响
- 作者：Russell D. L. Johnstone David Allan Alistair Lennie Elna Pidcock Rafael Valiente Fernando Rodríguez Jesús Gonzalez John Warren Simon Parsons
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第3期
- pressure;
- piezochromism;
- single-crystal and powder diffraction;
- UV–vis spectroscopy;
- density functional theory;
4.A simplified empirical model for approximation of the `bond valence–bond length' correlation for H—O bonds

机译：一种简化的经验模型，用于近似H-O键的“键价-键长”相关性
- 作者：Vasyl Sidey
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第3期
- bond-valence model;
- hydrogen bonding;
5.Structure analysis of titanate nanorods by automated electron diffraction tomography

机译：钛酸盐纳米棒的自动电子衍射层析成像结构分析
- 作者：Iryna Andrusenko Enrico Mugnaioli Tatiana E. Gorelik Dominik Koll Martin Panth?fer Wolfgang Tremel Ute Kolb
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第3期
6.R-free factor and experimental charge-density analysis of 1-(2′-aminophenyl)-2-methyl-4-nitroimidazole: a crystal structure with Z′ = 2

机译：1-（2'-氨基苯基）-2-甲基-4-硝基咪唑的无R因子和实验电荷密度分析：Z'= 2的晶体结构
- 作者：Agnieszka Paul Maciej Kubicki Christian Jelsch Pierrick Durand Claude Lecomte
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第4期
7.Deducing chemical structure from crystallographically determined atomic coordinates

机译：从晶体学上确定的原子坐标推导化学结构
- 作者：Ian J. Bruno Gregory P. Shields Robin Taylor
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第4期
- Cambridge Structural Database;
- structure assignment;
- catena structure;
- disorder resolution;
- Bayesian statistics;
8.Conformational preference of chlorothioformate species: molecular structure of ethyl chlorothioformate, ClC(O)SCH₂CH₃, in the solid phase and NBO analysis

机译：氯硫代甲酸酯物种的构象偏好：固相中的氯硫代甲酸乙酯，ClC（O）SCH _{2 CH _{3 的分子结构和NBO分析}}
- 作者：Lucas Rodríguez Pirani Mauricio F. Erben Roland Boese C. Gustavo Pozzi Adolfo C. Fantoni Carlos O. Della Védova
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第4期
9.CaSeO₄·0.625H₂O – water channel occupation in a bassanite related structure

机译：CaSeO _{4 ·0.625H _{2 O –水合物在水铝矿中的占据}}
- 作者：Susanne Fritz Horst Schmidt Iris Paschke Oxana V. Magdysyuk Robert E. Dinnebier Daniela Freyer Wolfgang Voigt
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第4期
- water channels;
- high-resolution synchrotron powder diffraction;
- thermal analysis;
- Raman spectroscopy;
10.Structural building principles of complex face-centered cubic intermetallics

机译：复杂面心立方金属间化合物的结构构造原理
- 作者：Julia Dshemuchadse Daniel Y. Jung Walter Steurer
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第4期
- face-centered cubic intermetallics;
- structural building principles;
11.Determination of the crystal structure of nifedipine form C by synchrotron powder diffraction

机译：同步加速器粉末衍射法测定硝苯地平C型晶体结构
- 作者：Mauro Bortolotti Ivan Lonardelli Giancarlo Pepponi
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第4期
- nifedipine;
- polymorphism;
- structure solution;
- powder diffraction;
12.Bis(μ2-2-(dimethylamino)ethoxo-N,O,O)-di(phenolato-O)ditin(II): a high-resolution single-crystal X-ray diffraction and quantum chemical study

机译：Bis（μ 2 -2-（二甲基氨基）乙氧基-N，O，O）-二（酚基-O）二锡（II）：高分辨率单晶X射线衍射和量子化学研究
- 作者：Alexander A. Korlyukov Victor N. Khrustalev Anna V. Vologzhanina Konstantin A. Lyssenko Mikhail. S. Nechaev Mikhail Yu. Antipin
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第4期
13.d-Orbital orientation in a dimer cobalt complex: link to magnetic properties?

机译：二聚钴络合物中的d轨道取向：与磁性有关吗？
- 作者：Maxime Deutsch Nicolas Claiser Jean-Michel Gillet Claude Lecomte Hiroshi Sakiyama Katsuya Tone Mohamed Souhassou
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第4期
- experimental charge density;
- cobalt complex;
- molecular magnetism;
- d-orbitals;
14.Charge-density analysis of 1-nitroindoline: refinement quality using free R factors and restraints. Corrigendum

机译：1-硝基二氢吲哚的电荷密度分析：使用自由R因子和约束条件的精制质量。更正
- 作者：Bartosz Zarychta Jacek Zaleski Janusz Kyzio? Zdzis?aw Daszkiewicz Christian Jelsch
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第4期
- crystal structure refinement;
- charge density;
- energy calculations;
- intermolecular interactions;
- corrigendum;
15.Octahedral tilts, symmetry-adapted displacive modes and polyhedral volume ratios in perovskite structures

机译：钙钛矿结构中的八面体倾斜，对称适应的位移模式和多面体体积比
- 作者：Di Wang Ross J. Angel
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第4期
- perovskite;
- octahedral tilt;
- symmetry-adapted displacive mode;
- polyhedral volume ratio;
- ISOTROPY, ISODISTORT;
16.Effects of the [OC₆F₅] moiety upon structural geometry: crystal structures of half-sandwich tantalum(V) aryloxide complexes from reaction of Cp*Ta(NtBu)(CH₂R)₂ with pentafluorophenol

机译：[OC _{6 F _{5 ]部分对结构几何的影响：Cp * Ta（N t Bu）（CH _{2 R）_{2 与五氟苯酚}}}}
- 作者：Jacqueline M. Cole Michael C. W. Chan Vernon C. Gibson Judith A. K. Howard
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第5期
- agostic interactions;
- pentamethylcyclopentadienyltantalum imido complexes;
17.Hidden superlattice in Tl₂(SC₆H₄S) and Tl₂(SeC₆H₄Se) solved from powder X-ray diffraction

机译：Tl _{2 （SC _{6 H _{4 S）和Tl _{2 （SeC _{6 < / sub> H _{4 Se）通过粉末X射线衍射求解}}}}}}
- 作者：Kevin H. Stone Dayna L. Turner Mayank Pratap Singh Thomas P. Vaid Peter W. Stephens
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第5期
- superlattice;
- X-ray powder diffraction;
- isostructural compounds;
- electrical conductivity;
18.Crystallization of the chalcogenide compound Sb₈Te₃

机译：硫族化物化合物Sb _{8 Te _{3 的结晶}}
- 作者：Kouichi Kifune Tomoko Fujita Yoshiki Kubota Noboru Yamada Toshiyuki Matsunaga
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第5期
- chalcogenide compound;
- phase change;
- homologous structure;
19.On the transferability of QTAIMC descriptors derived from X-ray diffraction data and DFT calculations: substituted hydropyrimidine derivatives

机译：从X射线衍射数据和DFT计算得出的QTAIMC描述子的可转移性：取代的氢嘧啶衍生物
- 作者：A. A. Rykounov A. I. Stash V. V. Zhurov E. A. Zhurova A. A. Pinkerton V. G. Tsirelson
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第5期
- electron density;
- QTAIM;
- multipole model;
- transferability;
20.Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers

机译：二氯苯甲醛异构体的分子间相互作用和意想不到的同构性
- 作者：Katarzyna A. Solanko Andrew D. Bond
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第5期
- dichlorobenzaldehyde;
- isomers;
- intermolecular interactions;
- PIXEL;
21.Charge-density distribution in hydrogen methylphosphonates of calcium and lithium

机译：钙和锂的甲基膦酸氢盐中的电荷密度分布
- 作者：Adrian Mermer Przemys?aw Starynowicz
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第5期
- charge-density distribution;
- methylphosphonate;
- density functional calculations;
- calcium;
- lithium;
22.Neutron powder diffraction refinement of PbZr_{1 ? x}Ti_xO₃

机译：PbZr _{1？的中子粉末衍射细化x Ti _{x O ₃}}
- 作者：N. Zhang H. Yokota A. M. Glazer P. A. Thomas
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第5期
- PZT;
- morphotropic phase boundary (MPB);
- neutron diffraction;
- Rietveld refinement;
23.Experimental and theoretical electron-density study of three isoindole derivatives: topological and Hirshfeld surface analysis of weak intermolecular interactions

机译：三种异吲哚衍生物的实验和理论电子密度研究：弱分子间相互作用的拓扑和Hirshfeld表面分析
- 作者：Lilianna Ch?cińska Simon Grabowsky Magdalena Ma?ecka Agnieszka J. Rybarczyk-Pirek Andrzej Jó?wiak Carsten Paulmann Peter Luger
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第6期
- electron density;
- isoindole derivatives;
- weak interactions;
- π...π interactions;
- CH...π interactions;
- close H...H contacts;
24.Structure of LaTi₂Al₉O₁₉ and reanalysis of the crystal structure of La₃Ti₅Al₁₅O₃₇

机译：LaTi _{2 Al _{9 O _{19 的结构及La _{3 Ti _{5晶体结构的重新分析 Al _{15 O ₃₇}}}}}}
- 作者：Marta Kasuni? Anton Meden Sre?o D. ?kapin Danilo Suvorov Amalija Golobi?
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第6期
- X-ray powder diffraction;
- ternary system;
- perovskite;
- bond-valence sum calculations;
25.Molecular origins of commercial laser dye functionality in azacoumarins and 2-quinolones: LD 425, LD 489 and LD 473

机译：氮杂香豆素和2-喹诺酮类中商业激光染料功能的分子起源：LD 425，LD 489和LD 473
- 作者：Xiaogang Liu Jacqueline M. Cole Paul G. Waddell Tze-Chia Lin
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第6期
- azacoumarin;
- 2-quinolone;
- resonance theory;
- structure–property relationship;
26.Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test

机译：预测复杂有机化合物的晶体结构–第五次盲测报告
- 作者：David A. Bardwell Claire S. Adjiman Yelena A. Arnautova Ekaterina Bartashevich Stephan X. M. Boerrigter Doris E. Braun Aurora J. Cruz-Cabeza Graeme M. Day Raffaele G. Della Valle Gautam R. Desiraju Bouke P. van Eijck Julio C. Facelli Marta B. Ferraro Damian Grillo Matthew Habgood Detlef W. M. Hofmann Fridolin Hofmann K. V. Jovan Jose Panagiotis G. Karamertzanis Andrei V. Kazantsev John Kendrick Liudmila N. Kuleshova Frank J. J. Leusen Andrey V. Maleev Alston J. Misquitta Sharmarke Mohamed Richard J. Needs Marcus A. Neumann Denis Nikylov Anita M. Orendt Rumpa Pal Constantinos C. Pantelides Chris J. Pickard Louise S. Price Sarah L. Price Harold A. Scheraga Jacco van de Streek Tejender S. Thakur Siddharth Tiwari Elisabetta Venuti Ilia K. Zhitkov
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第6期
- prediction;
- blind test;
- polymorph;
- crystal structure prediction;
27.Dynamic orientational disorder in crystals of fluoroelpasolites, structural refinement of (NH₄)₃AlF₆, (NH₄)₃TiOF₅ and Rb₂KTiOF₅

机译：氟弹辉石晶体的动态取向紊乱，（NH _{4 ）_{3 AlF _{6 ，（NH _{4 ）_{3 TiOF _{5 和Rb _{2 KTiOF ₅}}}}}}}
- 作者：Anatoly A. Udovenko Natalia M. Laptash
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第6期
28.Diffuse scattering resulting from macromolecular frustration

机译：大分子挫折引起的漫散射
- 作者：T. R. Welberry A. P. Heerdegen D. C. Goldstone Ian A. Taylor
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第6期
- diffuse scattering;
- molecular packing;
- disorder;
29.[Ni(H₂O)₆](NO₃)₂·(15-crown-5)·2H₂O: three phase transitions and an intermediate modulated phase stable over a range of ca 40 K

机译：[Ni（H _{2 O）_{6 ]（NO _{3 ）_{2 ·（15-crown-5） ·2H _{2 O：三相跃迁和中间调制相，在约40 K的范围内稳定}}}}}
- 作者：Maxime A. Siegler Xiang Hao Sean Parkin Carolyn Pratt Brock
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第6期
- phase transitions;
- modulated phase;
- commensurate approximation;
30.The not so simple cubic structure of PbZr_{1 ? x}Ti_xO₃ (PZT): complex local structural effects in perovskites

机译：PbZr _{1不是那么简单的立方结构。 x Ti _{x O _{3 （PZT）：钙钛矿中复杂的局部结构效应}}}
- 作者：Nan Zhang Hiroko Yokota A. M. Glazer P. A. Thomas
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第6期
- PZT;
- cubic phase;
- neutron diffraction;
- Rietveld refinement;
- disorder;
31.Structural study of piracetam polymorphs and cocrystals: crystallography redetermination and quantum mechanics calculations

机译：拉西坦多晶型物和共晶体的结构研究：晶体学重新确定和量子力学计算
- 作者：Ana?lle Tilborg Denis Jacquemin Bernadette Norberg Eric Perpète Catherine Michaux Johan Wouters
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第6期
- piracetam;
- polymorphism;
- pharmaceutical compound;
- quantum mechanics;
32.Stacking faults and superstructures in a layered brownmillerite

机译：层状褐镁岩中的堆积断层和上部构造
- 作者：H. Krüger S. St?ber T. R. Welberry R. L. Withers J. D. Fitz Gerald
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第6期
- layered brownmillerite;
- diffuse scattering;
- stacking faults;
- modulated structure;
33.The whole range of hydrogen bonds in one crystal structure: neutron diffraction and charge-density studies of N,N-dimethylbiguanidinium bis(hydrogensquarate)

机译：一个晶体结构中氢键的整个范围：N，N-二甲基双胍双（方酸氢盐）的中子衍射和电荷密度研究
- 作者：Mihaela-Diana ?erb Ruimin Wang Martin Meven Ulli Englert
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第6期
- experimental electron density;
- topological analysis;
- covalency of hydrogen bonds;
- energy density;
- multipole refinement;
34.Crystal packing and melting temperatures of small oxalate esters: the role of C—H...O hydrogen bonding

机译：小草酸酯的晶体堆积和熔融温度：CHH ... O氢键的作用
- 作者：Sumy Joseph Ranganathan Sathishkumar Sudarshan Mahapatra Gautam R. Desiraju
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第6期
- crystal packing;
- cryocrystallization;
- hydrogen bonding;
35.Water channel structure of bassanite at high air humidity: crystal structure of CaSO₄·0.625H₂O

机译：高空气湿度下重钙铝石的水通道结构：CaSO _{4 ·0.625H _{2 O的晶体结构}}
- 作者：Horst Schmidt Iris Paschke Daniela Freyer Wolfgang Voigt
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第6期
- bassanite;
- calcium sulfate subhydrate;
- single-crystal diffraction;
- powder diffraction;
- phase transition;
- high air humidity;
- gypsum;
36.Determining the structure of a benzene7.2-silicalite-1 zeolite using a single-crystal X-ray method

机译：用单晶X射线法测定苯7.2-硅沸石-1沸石的结构
- 作者：Natsumi Kamiya Wataru Iwama Tomokazu Kudo Tomomi Nasuno Shinjiro Fujiyama Koji Nishi Yoshinobu Yokomori
- 期刊名称：《Acta Crystallographica Section B》 | 2011年第6期
- ZSM-5;
- MFI;
- silicalite-1;
- benzene-silicalite-1;
37.Zur Kristallchemie von Graphen und Graphit

机译：用于石墨烯和石墨的晶体化学
- 作者：M. Trömel
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第1期
- graphene;
- graphite;
- pentavalent carbon;
38.Polysomatic apatites

机译：多晶磷灰石
- 作者：Tom Baikie Stevin S. Pramana Cristiano Ferraris Yizhong Huang Emma Kendrick Kevin S. Knight Zahara Ahmad T. J. White
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第1期
- polysomatic series;
- apatite;
- powder diffraction;
39.Orientational disorder and phase transitions in crystals of dioxofluoromolybdate, (NH4)2MoO2F4

机译：二氧氟钼酸（NH4）2MoO2F4晶体的取向无序和相变
- 作者：Anatoly A. Udovenko Alexander D. Vasiliev Natalia M. Laptash
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第1期
40.Octahedral tilting in cation-ordered Jahn–Teller distorted perovskites – a group-theoretical analysis

机译：阳离子有序Jahn-Teller中的八面体倾斜扭曲了钙钛矿–一组理论分析
- 作者：Christopher J. Howard Michael A. Carpenter
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第1期
- perovskites;
- cation ordering;
- Jahn–Teller distortion;
- octahedral tilting;
- manganites;
- group theory;
41.Ab initio structure determination of phase II of racemic ibuprofen by X-ray powder diffraction

机译：X射线粉末衍射法测定外消旋布洛芬Ⅱ期的从头算结构
- 作者：Patrick Derollez Emeline Dudognon Frédéric Affouard Florence Danède Natália T. Correia Marc Descamps
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第1期
- ibuprofen;
- X-ray powder diffraction;
- rigid-body constraints;
42.Structure solution of the new titanate Li4Ti8Ni3O21 using precession electron diffraction

机译：进动电子衍射法研究新型钛酸酯Li4Ti8Ni3O21的结构溶液
- 作者：Mauro Gemmi Holger Klein Amelie Rageau Pierre Strobel Federic Le Cras
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第1期
- precession technique;
- electron diffraction;
- Li–Ni–Ti oxides;
43.Structures of incommensurate and commensurate composite crystals RbxMnO2 (x = 1.3711, 1.3636)

机译：不相称和相称的复合晶体RbxMnO2的结构（x = 1.3711，1.3636）
- 作者：Jürgen Nuss Steffen Pfeiffer Sander Van Smaalen Martin Jansen
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第1期
- alkali metal manganate;
- composite crystal;
- incommensurate/commensurate modulated structures;
44.Structures of dipeptides: the head-to-tail story

机译：二肽结构：从头到尾的故事
- 作者：Carl Henrik Görbitz
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第1期
- hydrogen bonding;
- zwitterionic dipeptides;
45.Notes for authors 2010

机译：作者须知2010
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第1期
46.A list of organic kryptoracemates

机译：有机kryptoracemates列表
- 作者：László Fábián Carolyn Pratt Brock
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第1期
- kryptoracemates;
- racemic compounds;
- Cambridge Structural Database;
- symmetry;
47.A complicated quasicrystal approximant ɛ16 predicted by the strong-reflections approach

机译：用强反射法预测predicted16的复杂准晶体
- 作者：Mingrun Li Junliang Sun Peter Oleynikov Sven Hovmöller Xiaodong Zou Benjamin Grushko
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第1期
- quasicrystal approximant;
- strong-reflections approach;
- electron diffraction;
- inverse Fourier transformation;
48.Concomitant polymorphic behavior of di-μ-thiocyanato-κ2N:S;κ2S:N-bis[bis(tri-p-fluorophenylphosphine-κP)silver(I)]

机译：di-硫氰酸根-κ2N：S;κ2S：N-双[双（三（对-对氟苯基膦-κP）]银（I）]的多态行为
- 作者：Bernard Omondi Reinout Meijboom
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第1期
- X-ray crystallography;
- concomitant behavior;
- half-normal probability plot;
49.Revision of the structure of Cs2CuSi5O12 leucite as orthorhombic Pbca

机译：修改Cs2CuSi5O12白云母为正交晶Pbca的结构
- 作者：A. M. T. Bell K. S. Knight C. M. B. Henderson A. N. Fitch
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第1期
- leucites;
- cation ordering;
- synchrotron radiation;
- Rietveld refinement;
- X-ray powder diffraction;
- neutron powder diffraction;
50.Predicted crystal structures of tetramethylsilane and tetramethylgermane and an experimental low-temperature structure of tetramethylsilane

机译：四甲基硅烷和四甲基锗烷的预测晶体结构以及四甲基硅烷的实验低温结构
- 作者：Alexandra K. Wolf Jürgen Glinnemann Lothar Fink Edith Alig Michael Bolte Martin U. Schmidt
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第2期
- global lattice-energy minimizations;
- NMR spectroscopy;
- force-field methods;
51.Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition

机译：六配位铜（II）配合物的电子结构变化，伴随着阴离子有序/无序转变
- 作者：Colin A. Kilner Malcolm A. Halcrow
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第2期
- Jahn–Teller distortion;
- variable-temperature crystallography;
- order/disorder;
52.Universal prediction of intramolecular hydrogen bonds in organic crystals

机译：普遍预测有机晶体中分子内氢键
- 作者：Peter T. A. Galek László Fábián Frank H. Allen
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第2期
- hydrogen bonding;
- Cambridge Structural Database;
- ab initio calculations;
53.Superspace description of the homologous series Ga2O3(ZnO)m

机译：Ga2O3（ZnO）m同源序列的超空间描述
- 作者：Yuichi Michiue Noboru Kimizuka
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第2期
- homologous series;
- modulated structure;
- composite crystal;
- superspace formalism;
54.Precursor effects of the orthorhombic to monoclinic phase transition in benzocaine form (II) revealed by X-ray diffuse scattering

机译：X射线扩散散射揭示苯并卡因形式（II）的斜方相到单斜相转变的前体效应
- 作者：E. J. Chan T. R. Welberry
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第2期
- phase transitions;
- benzocaine;
- X-ray diffuse scattering;
- hydrogen-bonded chains;
55.Inorganic structures in space group P31m; coordinate analysis and systematic prediction of new ferroelectrics

机译：P31m空间群中的无机结构；新型铁电体的坐标分析和系统预测
- 作者：S. C. Abrahams
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第2期
- coordinate analysis;
- ferroelectrics;
- ICSD;
56.New RE microporous heteropolyhedral silicates containing 41516182 tetrahedral sheets

机译：新型稀土微孔杂多面体硅酸盐，含41516182四面体片
- 作者：Marcella Cadoni Yan Ling Cheah Giovanni Ferraris
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第2期
- hydrothermal synthesis;
- twinning by merohedry;
- microporous heteropolyhedral RE silicate;
- hydronium;
57.Two new silicate structures based on a rhodesite-type heteropolyhedral microporous framework

机译：基于菱锰矿型杂多面体微孔骨架的两种新型硅酸盐结构
- 作者：Marcella Cadoni Giovanni Ferraris
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第2期
- hydrothermal synthesis;
- rhodesite series;
- microporous heteropolyhedral silicate;
58.Re-investigation of the structure and crystal chemistry of the Bi2O3–W2O6 `type (Ib)' solid solution using single-crystal neutron and synchrotron X-ray diffraction

机译：使用单晶中子和同步加速器X射线衍射对Bi2O3-W2O6型（Ib）固溶体的结构和晶体化学进行重新研究
- 作者：Neeraj Sharma Rene B. Macquart Maxim Avdeev Mogens Christensen Garry J. McIntyre Yu-Sheng Chen Chris D. Ling
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第2期
59.Maximum entropy method and charge flipping, a powerful combination to visualize the true nature of structural disorder from in situ X-ray powder diffraction data

机译：最大熵方法和电荷翻转，一种强大的组合，可从原位X射线粉末衍射数据中可视化结构异常的真实性质
- 作者：Ali Samy Robert E. Dinnebier Sander Van Smaalen Martin Jansen
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第2期
- charge flipping;
- maximum entropy method;
- disorder;
- X-ray powder diffraction;
60.Mullite-type Ga4B2O9: structure and order–disorder phenomenon

机译：莫来石型Ga4B2O9：结构与无序现象
- 作者：Rihong Cong Tao Yang Kuo Li Hongmei Li Liping You Fuhui Liao Yingxia Wang Jianhua Lin
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第2期
- mullite;
- gallium borate;
- boric-acid flux;
- order-disorder;
61.Proton-transfer dynamics in the (HCO3−)2 dimer of KHCO3 from Car–Parrinello and path-integrals molecular dynamics calculations

机译：Car-Parrinello提出的KHCO3（HCO3-）二聚体中的质子传递动力学和路径积分分子动力学计算
- 作者：Przemyslaw D. Dopieralski Zdzislaw Latajka Ivar Olovsson
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第2期
- proton transfer;
- molecular dynamics;
- neutron diffraction;
- hydrogen bonding;
62.More examples of the 15-crown-5...H2O—M—OH2...15-crown-5 motif, M = Al3+, Cr3+ and Pd2+

机译：15冠-5 ... H2O-M-OH2 ... 15-冠-5基序的更多示例，M = Al3 +，Cr3 +和Pd2 +
- 作者：Maxime A. Siegler Jacob H. Prewitt Steven P. Kelley Sean Parkin John P. Selegue Carolyn Pratt Brock
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第2期
- co-crystals;
- hydrogen bonding;
- polymorphism;
63.1,1′-Fc(4-C6H4CO2Et)2 and its unusual salt derivative with Z′ = 5, catena-[Na+]2[1,1′-Fc(4-C6H4CO2−)2]·0.6H2O [1,1′-Fc = (η5-(C5H4)2Fe]

机译：1,1'-Fc（4-C6H4CO2Et）2及其不寻常的Z'= 5盐衍生物，catena- [Na +] 2 [1,1'-Fc（4-C6H4CO2-）2·0.6H2O [1， 1'-Fc =（η5-（C5H4）2Fe]
- 作者：John F. Gallagher Steven Alley Marianne Brosnan Alan J. Lough
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第2期
- ferrocene;
- X-ray diffraction;
- salt;
- structural systematics;
64.Crystal growth and twinned crystal structure of Sr2CaWO6

机译：Sr2CaWO6的晶体生长和孪生晶体结构
- 作者：G. Madariaga A. Faik T. Breczewski J. M. Igartua
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第2期
- crystal growth;
- twinning;
- perovskites;
65.Modulation functions of incommensurately modulated Cr2P2O7 studied by the maximum entropy method (MEM)

机译：通过最大熵方法（MEM）研究非同等调制的Cr2P2O7的调制函数
- 作者：Liang Li Andreas Schönleber Sander Van Smaalen
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第2期
- maximum entropy method;
- incommensurately modulated structures;
- electron density;
66.l

机译：升
- 作者：Carl Henrik Görbitz
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第2期
- polymorphism;
- amino acids;
- hydrogen bonding;
67.Determination of zinc incorporation in the Zn-substituted gallophosphate ZnULM-5 by multiple wavelength anomalous dispersion techniques

机译：利用多波长异常色散技术测定锌取代的镓磷酸盐ZnULM-5中的锌结合量
- 作者：M. Helliwell J. R. Helliwell V. Kaucic N. Zabukovec Logar S. J. Teat J. E. Warren E. J. Dodson
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第3期
- zinc substitution;
- D4R structural building blocks;
- MAD technique;
- 11 X-ray wavelengths;
68.Persistence of the stereochemical activity of the Bi3+ lone electron pair in Bi2Ga4O9 up to 50 GPa and crystal structure of the high-pressure phase

机译：最高504GPa的Bi2Ga4O9中Bi3 +孤电子对的立体化学活性的持久性和高压相的晶体结构
- 作者：Alexandra Friedrich Erick A. Juarez-Arellano Eiken Haussühl Reinhard Boehler Björn Winkler Leonore Wiehl Wolfgang Morgenroth Manfred Burianek Manfred Mühlberg
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第3期
- stereochemical activity;
- high-pressure phase;
- density-functional theory;
- quantum mechanical calculations;
69.Reversible phase transition of pyridinium-3-carboxylic acid perchlorate

机译：吡啶-3-羧酸高氯酸盐的可逆相变
- 作者：Heng-Yun Ye Li-Zhuang Chen Ren-Gen Xiong
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第3期
- reversible phase transitions;
- hydrogen bonds;
- dielectric measurement;
- differential scanning calorimetry;
70.Charge-density analysis of the ground state of a photochromic 1,10-phenanthroline zinc(II) bis(thiolate) complex

机译：光致变色1,10-菲咯啉锌（II）双（硫醇盐）配合物基态的电荷密度分析
- 作者：Stephan Scheins Shao-Liang Zheng Jason B. Benedict Philip Coppens
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第3期
- charge-density analysis;
- photochromism;
- multipole refinement;
- charge transfer;
71.Structure of pyrrhotite 5C (Fe9S10)

机译：黄铁矿5C（Fe9S10）的结构
- 作者：Alexander Dean Elliot
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第3期
- pyrrhotite;
- distribution of vacancies;
- order–disorder layering;
- synchrotron powder diffraction;
72.Towards a generalized vision of oxides: disclosing the role of cations and anions in determining unit-cell dimensions

机译：迈向氧化物的普遍视野：揭示阳离子和阴离子在确定晶胞尺寸中的作用
- 作者：Ángel Vegas Maurizio Mattesini
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第3期
- electron localization;
- high-pressure experiments;
73.Structures of relevant ammonium salts in fertilizers

机译：肥料中相关铵盐的结构
- 作者：J. M. Montejo-Bernardo S. García-Granda A. Fernández-González
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第3期
- ammonium sulfate nitrate fertilizer;
- hydrogen bonds;
- double salts;
74.Symmetry analysis of extinction rules in diffuse-scattering experiments

机译：散射实验中消光规则的对称性分析
- 作者：R. L. Withers M. I. Aroyo J. M. Perez-Mato D. Orobengoa
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第3期
- symmetry;
- extinction;
- diffuse scattering;
- disorder;
75.X-ray atomic orbital analysis of 4f and 5d electron configuration of SmB6 at 100, 165, 230 and 298 K

机译：100、165、230和298 K下SmB6的4f和5d电子构型的X射线原子轨道分析
- 作者：Shiro Funahashi Kiyoaki Tanaka Fumitoshi Iga
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第3期
- electron density;
- X-ray atomic orbital analysis;
- Kondo insulator;
76.On the accurate bond-valence parameters for the Sb3+/O2− ion pair

机译：关于Sb3 + / O2-离子对的精确键价参数
- 作者：Vasyl Sidey
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第3期
- bond-valence model;
- bond-valence parameters;
- polymorphism;
- bond-network topology;
77.Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure

机译：铅基弛豫铁电体在高压下的八面体倾斜
- 作者：Bernd J. Maier Ross J. Angel William G. Marshall Boriana Mihailova Carsten Paulmann Jens M. Engel Marin Gospodinov Anna-Maria Welsch Dimitrina Petrova Ulrich Bismayer
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第3期
- octahedral tilting;
- relaxor ferroelectrics;
- neutron powder diffraction;
- synchrotron X-ray diffraction;
78.The lines-of-force landscape of interactions between molecules in crystals; cohesive versus tolerant and `collateral damage' contact

机译：晶体中分子之间相互作用的力线图；内聚性与耐受性及“附带损害”联系
- 作者：Angelo Gavezzotti
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第3期
- relative stabilities;
- interaction energies;
- mechanical properties;
79.Bond lengths in organic and metal-organic compounds revisited: X—H bond lengths from neutron diffraction data

机译：再谈有机和金属有机化合物的键长：中子衍射数据的XH键长
- 作者：Frank H. Allen Ian J. Bruno
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第3期
- bond lengths;
- Cambridge Structural Database;
- neutron diffraction data;
- hydrogen bonds;
- deformation density;
80.Polymorphism in the nitrate salt of the [Mn(acetylacetonate)2(H2O)2]+ ion

机译：[Mn（乙酰丙酮）2（H2O）2] +离子的硝酸盐中的多态性
- 作者：A. R. Biju M. V. Rajasekharan
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第3期
- polymorphism;
- hydrogen bonding;
- lattice-energy calculations;
81.Polymorphism and piezochromicity in the three-dimensional network-based phosphate RbCuPO4

机译：基于三维网络的磷酸盐RbCuPO4的多态性和压致变色
- 作者：Paul F. Henry Simon A. J. Kimber Dimitri N. Argyriou
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第4期
- polymorphism;
- piezochromicity;
- neutron powder diffraction;
- phase transitions;
82.An experimental charge density of HEPES

机译：HEPES的实验电荷密度
- 作者：Paweł Śledź Radosław Kamiński Maksymilian Chruszcz Matthew D. Zimmerman Wladek Minor Krzysztof Woźniak
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第4期
- experimental charge density;
- HEPES;
- multipole refinement;
- Hansen–Coppens formalism;
- buffering properties;
83.Structural polymorphism of pyrazinium hydrogen sulfate: extending chemistry of the pyrazinium salts with small anions

机译：吡嗪硫酸氢盐的结构多态性：扩展吡嗪鎓盐与小阴离子的化学反应
- 作者：Armand Budzianowski Mariana Derzsi Piotr J. Leszczyński Michał K. Cyrański Wojciech Grochala
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第4期
- polymorphism;
- donor–acceptor complexes;
- hydrogen bonding;
- density functional theory;
84.Structural investigation of GeSb6Te10 and GeBi6Te10 intermetallic compounds in the chalcogenide homologous series

机译：硫族化物同源序列中GeSb6Te10和GeBi6Te10金属间化合物的结构研究
- 作者：Toshiyuki Matsunaga Rie Kojima Noboru Yamada Tomoko Fujita Kouichi Kifune Yoshiki Kubota Masaki Takata
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第4期
- X-ray powder diffraction;
- pseudobinary compounds;
- chalcogenides;
- homologous structures;
- density functional theory;
- semiconductors;
85.Structures of alkyl-substituted Tröger's base derivatives illustrate the importance of Z′ for packing in the absence of strong crystal synthons

机译：烷基取代的Tröger碱衍生物的结构说明了Z'在没有强晶体合成子的情况下堆积的重要性
- 作者：Christophe M. L. Vande Velde Benoît Tylleman Matthias Zeller Sergey Sergeyev
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第4期
- Tröger's base;
- crystal synthons;
- crystal packing;
86.Pressure-induced phase transitions in l

机译：压力引起的相变
- 作者：N. A. Tumanov E. V. Boldyreva B. A. Kolesov A. V. Kurnosov R. Quesada Cabrera
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第4期
- polymorphism;
- amino acids;
- pressure;
- phase transitions;
87.Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N′,N′′-bis(morpholino)phosphoric triamide

机译：N-（4-硝基苯甲酰基）-N'，N'-双（吗啉代）磷酸三酰胺的一些新的氨基磷酸酯和镧系元素（III）配合物的合成，光谱研究和X射线晶体学
- 作者：Khodayar Gholivand Hossein Mostaanzadeh Tomas Koval Michal Dusek Mauricio F. Erben Helen Stoeckli-Evans Carlos O. Della Védova
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第4期
- phosphoramidates;
- NMR spectroscopy;
- IR spectroscopy;
- coupling patterns of protons;
- quantum chemical calculations;
88.Orientational ordering, tilting and lone-pair activity in the perovskite methylammonium tin bromide, CH3NH3SnBr3

机译：钙钛矿型甲基溴化铵CH3NH3SnBr3的取向有序，倾斜和孤对活性
- 作者：Ian Swainson Lisheng Chi Jae-Hyuk Her Lachlan Cranswick Peter Stephens Björn Winkler Daniel J. Wilson Victor Milman
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第4期
- order;
- tilting;
- lone-pair activity;
- synchrotron powder diffraction;
- density-functional theory;
89.On the sequence of three related phases of [Ni(H2O)2(15-crown-5)](HSO4)2 in the temperature range 110–295 K

机译：关于[Ni（H2O）2（15-crown-5）]（HSO4）2在110–295 K温度范围内的三个相关相的序列
- 作者：Maxime A. Siegler Eli Stavitski
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第4期
- Ni coordination;
- phase transitions;
- phase sequence;
- hydrogen bonding;
90.Charge density distribution in aminomethylphosphonic acid

机译：氨基甲基膦酸中的电荷密度分布
- 作者：Rafał Janicki Przemysław Starynowicz
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第5期
91.Conformational polymorphism in a Schiff-base macrocyclic organic ligand: an experimental and theoretical study

机译：席夫碱大环有机配体的构象多态性：实验和理论研究。
- 作者：Leonardo Lo Presti Raffaella Soave Mariangela Longhi Emanuele Ortoleva
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第5期
92.Bond catastrophes in rhodium complexes: experimental charge-density studies of [Rh(C7H8)(PtBu3)Cl] and [Rh(C7H8)(PCy3)Cl]

机译：铑配合物中的键突变：[Rh（C7H8）（PtBu3）Cl]和[Rh（C7H8）（PCy3）Cl]的实验电荷密度研究
- 作者：Hazel A. Sparkes Adrian B. Chaplin Andrew S. Weller Judith A. K. Howard
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第5期
- charge density;
- X-ray diffraction;
- organometallic;
- bonding;
- rhodium complexes;
93.Validation of experimental charge densities: refinement of the macrolide antibiotic roxithromycin

机译：实验电荷密度的验证：大环内酯类抗生素罗红霉素的改进
- 作者：J. J. Holstein P. Luger R. Kalinowski S. Mebs C. Paulman B. Dittrich
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第5期
- charge densities;
- macrolide antibiotics;
- multipole refinements;
- hydrogen disorder;
94.Symmetry of platelet defects in diamond: new insights with synchrotron light

机译：钻石中血小板缺陷的对称性：同步加速器光的新见解
- 作者：Alexei Bosak Dmitry Chernyshov M. Krisch Leonid Dubrovinsky
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第5期
- diffuse scattering;
- diamond;
- synchrotron radiation;
95.Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations

机译：用分散校正的密度泛函理论计算验证实验分子晶体结构
- 作者：Jacco Van De Streek Marcus A. Neumann
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第5期
- dispersion-corrected density functional theory;
- organic structures;
96.Experimental and predicted crystal structures of Pigment Red 168 and other dihalogenated anthanthrones

机译：颜料红168和其他二卤代蒽酮的实验和预测晶体结构
- 作者：Martin U. Schmidt Erich F. Paulus Nadine Rademacher Graeme M. Day
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第5期
- lattice-energy minimization;
- anisotropic potentials;
- polymorphism;
- organic pigments;
97.Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study

机译：单晶中子衍射研究朗格石家族的晶体：对比研究。
- 作者：R. Chitra R. R. Choudhury
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第5期
- single-crystal neutron diffraction;
- langasite;
- piezoelectric properties;
98.Crystal chemistry of transition metal diarsenates M2As2O7 (M = Mn, Co, Ni, Zn): variants of the thortveitite structure

机译：过渡金属二砷酸盐M2As2O7（M = Mn，Co，Ni，Zn）的晶体化学：方钴矿结构的变体
- 作者：Matthias Weil Berthold Stöger
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第6期
- diarsenates;
- thortveitite structure type;
- incommensurately modulated structure;
- superspace;
99.The modulated structure of the calcium aluminate Ca6(AlO2)12·Bi2O3

机译：铝酸钙Ca6（AlO2）12·Bi2O3的调节结构
- 作者：O. Pérez S. Malo M. Hervieu
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第6期
- modulated structure;
- ceramics;
- ionic conductors;
- optical properties;
100.Structure and electrical properties of the new pyrochlore-type protonic solid electrolyte K0.88Nb2O7.58H4.28

机译：新型烧绿石型质子固体电解质K0.88Nb2O7.58H4.28的结构和电性能
- 作者：O. Smirnova N. Kumada T. Takei Y. Yonesaki M. Yashima N. Kinomura
- 期刊名称：《Acta Crystallographica Section B》 | 2010年第6期
- electrical properties;
- pyrochlore;
- powder diffraction;

客服邮箱：kefu@zhangqiaokeyan.com

客服微信
服务号