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   Structure and lattice dynamics of solids.
      Chemical bonds and crystalline fields.
Properties of Individual Dopant Atoms in Single-Layer MoS2: Atomic Structure, Migration, and Enhanced Reactivity
Yung-Chang Lin, Dumitru O. Dumcenco, Hannu-Pekka Komsa, Yoshiko Niimi, Arkady V. Krasheninnikov, Ying-Sheng Huang, Kazu Suenaga
Adv. Mater., Vol: 26, No: 18 , published: 14 May 2014
Reserach on Fine Structure of Ground-State Energy Levels and the Jahn-Teller Effect of Fe2P2S6 Crystal.
Yin Chunhao,Xu Zhenkun,Wu Caiping,Zhang Lei,Jiao Yang,Liu Haishun,Li Fuqiang
Acta opt. sin=Guangxue xuebao , Vol: 34, No: 5 , published: 01 May 2014
A New Ferroelectric Phase of YMnO3 Induced by Oxygen-Vacancy Ordering
Qinghua Zhang, Sandong Guo, Binghui Ge, Peng Chen, Yuan Yao, Lijuan Wang, Lin Gu, Yanguo Wang, Xiaofeng Duan, Changqing Jin, Banggui Liu , Richeng Yu
J. Am. Ceram. Soc. , Vol: 97, No: 4 , published: 27 April 2014
Correlation between the electron work function of metals and their bulk moduli, thermal expansion and heat capacity via the Lennard–Jones potential
Hao Lu, Dongyang Li
Phys. Status Solidi B, Vol: 251, No: 4 , published: 01 April 2014
First principles calculations of LiNH2 BH3, LiNH3 BH4, and NaNH2 BH3
Bheema Lingam Chittari, Surya P. Tewari
Phys. Status Solidi B, Vol: 251, No: 4 , published: 01 April 2014
Поляритонные кривые в аморфном кварце, легированном ионами эрбия Er3+
Горелик В.С., Бурданова М.Г.
Вестн. МГТУ. Сер. Естественные науки, Vol: 2014, No: 2 , published: 01 April 2014
The effects of 5f localization on the electronic and magnetic properties of the hexagonal U3ZrSb5
O. Merabiha, T. Seddik, R. Khenata, G. Murtaza, A. Bouhemadou, Y. Takagiwa, S. Bin Omran, D. Rached
J. Alloys Compd. , Vol: 2014, No: 586 , published: 15 February 2014
Structural properties of a hypothetical H6-Boron with three-dimensional all sp2 network
Bin Zhang
Solid State Commun., Vol: 177, No: , published: 01 January 2014
Local structure in Cu2ZnSnS4 studied by the XAFS method
R. Bacewicz, J. Antonowicz, S. Podsiadło, S. Schorr
Solid State Commun., Vol: 177, No: , published: 01 January 2014
О взаимосвязи температуры плавления и ширины запрещенной зоны соединений A2TеC6 и A3B2C9 (A — K, Rb, Cs, Tl(I); B —– Sb, Bi; C —– Br, I) со средним зарядом ядер атомов
Переш Е.Ю., Сидей В.И., Габорец Н.И., Зубака О.В., Стерчо И.П., Барчий И.Е.
Неорган. матер., Vol: 50, No: 1 , published: 01 January 2014
Comparative crystal field study of Ni2+ energy levels and crystal field effects in CsCdBr3 and CsMgBr3 crystals
M.G. Brik, A.A. Chaykin
J. Lumin., Vol: 145, No: , published: 01 January 2014
57Fe-Mössbauer study of electrically conductive alkaline iron vanadate glasses
Koken Matsuda, Kazuhiko Akiyama, Tetsuaki Nishida
J. Radioanal. Nucl. Chem., Vol: 299, No: 1 , published: 01 January 2014
Environmental effects on noble-gas hydrides: HXeBr, HXeCCH, and HXeH in noble-gas and molecular matrices
Masashi Tsuge, Antti Lignell, Markku Räsänen, Leonid Khriachtchev
J. Chem. Phys., Vol: 139, No: 20 , published: 28 November 2013
Determination of Crystal-Field Energy Levels and Temperature Dependence of Magnetic Susceptibility for Dy3+ in [Dy2Pd] Heterometallic Complex
Mirosław Karbowiak, Czesław Rudowicz, Takayuki Ishida
Inorg. Chem. , Vol: 52, No: 22 , published: 17 November 2013
Pressure dependent stability and structure of carbon dioxide—A density functional study including long-range corrections
Sebastian Gohr, Stefan Grimme, Tilo Söhnel, Beate Paulus,Peter Schwerdtfeger
J. Chem. Phys., Vol: 139, No: 17 , published: 07 November 2013
A new many-body potential with the second-moment approximation of tight-binding scheme for Hafnium
DeYe Lin, Yi Wang, ShunLi Shang, ZhaoPing Lu, ZiKui Liu,  XiDong Hui
Sci. China-Phys. Mech. Astron., Vol: 56, No: 11 , published: 01 November 2013
A periodic charge-dipole electrostatic model. II. A kinetic-exchange-correlation correction
I. V. Bodrenko, F. Della Sala
J. Chem. Phys., Vol: 139, No: 14 , published: 14 October 2013
On the large interelectronic distance behavior of the correlation factor for explicitly correlated wave functions
Michał Lesiuk, Bogumił Jeziorski, Robert Moszynski
J. Chem. Phys., Vol: 139, No: 13 , published: 07 October 2013
Wave function for time-dependent harmonically confined electrons in a time-dependent electric field
Yu-Qi Li, Xiao-Yin Pan, Viraht Sahni
J. Chem. Phys., Vol: 139, No: 11 , published: 21 September 2013
Asymptotic equivalence of the shell-model and local-density descriptions of Coulombic systems confined by radially symmetric potentials in two and three dimensions
Jerzy Cioslowski, Joanna Albin
J. Chem. Phys., Vol: 139, No: 11 , published: 21 September 2013
Oscillatory and fluctuating terms in energies of assemblies of equicharged particles subject to spherically symmetric power-law confining potentials
Jerzy Cioslowski, Joanna Albin
J. Chem. Phys., Vol: 139, No: 10 , published: 14 September 2013
Perturbed atoms in molecules and solids: The PATMOS model
Inge Røeggen, Bin Gao
J. Chem. Phys., Vol: 139, No: 9 , published: 07 September 2013
A variational method for density functional theory calculations on metallic systems with thousands of atoms
Álvaro Ruiz-Serrano, Chris-Kriton Skylaris
J. Chem. Phys., Vol: 139, No: 5 , published: 07 August 2013
Классификация структурных разновидностей углерода
Беленков Е.А., Грешняков В.А.
Физ. тверд. тела, Vol: 55, No: 8 , published: 01 August 2013
Communication: Singularity-free hybrid functional with a Gaussian-attenuating exact exchange in a plane-wave basis
Jong-Won Song, Giacomo Giorgi, Koichi Yamashita, Kimihiko Hirao
J. Chem. Phys., Vol: 138, No: 24 , published: 28 June 2013
Jahn-Teller effect in CH2DO/CHD2O(X2E):Vibronic coupling of all vibrational modes
Zhuo Shao, Yuxiang Mo
J. Chem. Phys., Vol: 138, No: 24 , published: 28 June 2013
Demonstration of Angle-Dependent Casimir Force between Corrugations
A. A. Banishev, J. Wagner, T. Emig, R. Zandi, U. Mohideen
Phys. Rev. Lett., Vol: 110, No: 25 , published: 21 June 2013
Pseudo Jahn-Teller coupling in trioxides XO3 (0,1,−1) with 22 and 23 valence electrons
Friedrich Grein
J. Chem. Phys., Vol: 138, No: 20 , published: 28 May 2013
Discrete variable representation in electronic structure theory: Quadrature grids for least-squares tensor hypercontraction
Robert M. Parrish, Edward G. Hohenstein, Todd J. Martínez, C. David Sherrill
J. Chem. Phys., Vol: 138, No: 19 , published: 21 May 2013
Quantum Isobaric Process in Ni2
C. D. Dong, G. Lefkidis, W. Hübner
J. Supercond. Novel Magn., Vol: 26, No: 5 , published: 01 May 2013
Combined nonmetallic electronegativity equalisation and point–dipole interaction model for the frequency-dependent polarisability
Hans S. Smalø, Per-Olof Åstrand, Alexandre Mayer
Mol. Phys. , Vol: 111, No: 9-11 , published: 01 May 2013
Incorporation of nitrogen in Co:ZnO studied by x-ray absorption spectroscopy and x-ray linear dichroism
D. Schauries, V. Ney, S. K. Nayak, P. Entel, A. A. Guda, A. V. Soldatov, F. Wilhelm, A. Rogalev, K. Kummer, F. Yakhou, and A. Ney
Phys. Rev. B: Condens. Matter, Vol: 87, No: 12 , published: 25 March 2013
Electronic origin of the conductivity imbalance between covalent and ionic amorphous semiconductors
Hui-Xiong Deng, Su-Huai Wei, Shu-Shen Li, Jingbo Li, and Aron Walsh
Phys. Rev. B: Condens. Matter, Vol: 87, No: 12 , published: 21 March 2013
Localized saddle-point search and application to temperature-accelerated dynamics
Yunsic Shim, Nathan B. Callahan, Jacques G. Amar
J. Chem. Phys., Vol: 138, No: 9 , published: 07 March 2013
Formation energies of group I and II metal oxides using random phase approximation
Jun Yan, Jens S. Hummelshøj, and Jens K. Nørskov
Phys. Rev. B: Condens. Matter, Vol: 87, No: 7 , published: 25 February 2013
Sum rule violation in self-consistent hybridization expansions
Andreas Rüegg, Emanuel Gull, Gregory A. Fiete, and Andrew J. Millis
Phys. Rev. B: Condens. Matter, Vol: 87, No: 7 , published: 19 February 2013
Dielectric constant of NiO and LDA+U
Lin-Hui Ye, Ning Luo, Lian-Mao Peng, M. Weinert, and A. J. Freeman
Phys. Rev. B: Condens. Matter, Vol: 87, No: 7 , published: 13 February 2013
Nonlocal van der Waals density functional made simple and efficient
Riccardo Sabatini, Tommaso Gorni, and Stefano de Gironcoli
Phys. Rev. B: Condens. Matter, Vol: 87, No: 4 , published: 31 January 2013
Evidence of multicenter structure of cerium ions in gadolinium gallium garnet crystals studied by infrared absorption spectroscopy
H. Przybylińska, Chong-Geng Ma, M. G. Brik, A. Kamińska, J. Szczepkowski, P. Sybilski, A. Wittlin, M. Berkowski, W. Jastrzębski, and A. Suchocki
Phys. Rev. B: Condens. Matter, Vol: 87, No: 4 , published: 16 January 2013
Magnetic Field Effect on Photoinduced Electron Transfer Reaction Associated with Hydrogen Bond Formation in Homogeneous Medium
Brotati Chakraborty, Samita Basu
Applied Magnetic Resonance , Vol: 42, No: , published: 01 February 2012
Dispersion of the Γ{(1)}[6]-Γ{(2)}[6] Nd crystal field excitation in Nd[2]CuO[4]
Henggeler W., Chattopadhyay T., Roessli B., et al.
Z. Phys. B, Vol: 99, No: 4 , 1999
The nuclear spin-lattice relaxation of an amorphous Hubbard model
Liu K.L.
Can. J. Chem, Vol: 72, No: 9-10 , 1999
New higher-brilliance sources of infrared synchrotron radiatoion
Roy P., Mathis Y.-L., Paolone A. et al.
Nuovo cim. D, Vol: 20, No: 4 , 1998
Hyperfine interactions in nanocrystalline Fe-Al alloys
Jartych E., Zurawicz J.K., Oleszak D. et al.
J. Phys.: Condens. Matter. , Vol: 10, No: 22 , 1998
Hyperfine structure and isotope shifts in natural vanadium
Cochrane E.C.A., Benton D.M., Forest D.H., Griffith J.A.R.
J. Phys. A, Vol: 31, No: 17 , 1998
Hyperfine structure and isotope shifts in natural vanadium
Cochrane E.C.A., Benton D.M., Forest D.H., Griffith J.A.R.
J. Phys. A, Vol: 31, No: 17 , 1998
The Pd I spectrum, term system, isotope shift and hyperfine structure-revised and extended analysis based on FTS emission spectroscopy
Engleman R.(Jr.), Litzen U., Lundberg H., Wyart J.-F.
Phys. scr., Vol: 57, No: 3 , 1998
Парамагнитные центры в ион-имплантированных неорганических стеклах
Богомолова Л.Д., Жачкин В.А.
Физ. и химия стекла, Vol: 24, No: 1 , 1998
{57}Fe Mossbauer spectroscopic examination of a single crystal of Fe[3]O[4]
Berry F.J., Skinner S., Thomasd M.F.
J. Phys.: Condens. Matter. , Vol: 10, No: 2 , 1998
Mossbauer study of magnetic properties and structure of amorphous Fe-(Co, Cr)-Zr alloys
Zhigao H.
Jpn. J. Appl. Phys., Part 1, Vol: 37, No: 1 , 1998
Когерентная мессбауэровская рефлектометрия поверхности
Андреева М.А., Гитцович В.Н., Иркаев С.М., Семенов В.Г.
Изв. РАН. Сер. физ., Vol: 62, No: 2 , 1998
Мессбауэровское исследование эффектов локального атомного окружения в формировании магнитных свойств разупорядоченных нанокристаллических и аморфных сплавов Fe[100-x]Sn[x] (0<x<50 ат.%)
Елсуков Е.П., Воронина Е.В., Фомин В.М., Коныгин Г.Н.
Физ. мет. и металловед., Vol: 85, No: 3 , 1998
Об обнаружении "зернограничной фазы" в субмикрокристаллическом железе Мессбауэровским методом
Шабашов В.А., Овчинников В.В., Мулюков Р.Р., Валиев Р.З., Филиппова Н.П.
Физ. мет. и металловед., Vol: 85, No: 3 , 1998
Local structure and connectivity in lithium phosphate glasses: A solid-state {31}P MAS NMR and 2D exchange investigation
Alam T.M., Brow R.K.
J. Non-Cryst. Solids , Vol: 223, No: 1-2 , 1998
Solid-state NMR investigation of phosphorus in aluminoborosilicate glasses
Rong C., Wong-Moon K.C., Li H. et al.
J. Non-Cryst. Solids , Vol: 223, No: 1-2 , 1998
Connectivities of coordination polyhedra in phosphate glasses from {31}P double-quantum NMR spectroscopy
Feike M., Jager C., Spiess H.W.
J. Non-Cryst. Solids , Vol: 223, No: 3 , 1998
Observation of {235}U NMR in the antiferromagnetic state of UO[2]
Ikushima K., Tsutsui S., Saeki M., Nasu S., Date M.
J. Phys. Soc. Jpn., Vol: 67, No: 1 , 1998
A nuclear magnetic resonance study of tetramethylammonium cadmium chloride (TMCC)
Mulla-Osman S., Michel D., Czapla Z., Hoffmann W.-D.
J. Phys.: Condens. Matter. , Vol: 10, No: 11 , 1998
Nuclear magnetic resonance magnetic dipolar spectral density functions for two-dimensional lattice diffusion: Hexagonal
MacDonald D.H., Sholl C.A., Stephenson P.C.L.
J. Phys.: Condens. Matter. , Vol: 10, No: 2 , 1998
Further tests of the coupling model of ionic motions in glassy fast ionic conductors: Conductivity relaxation and {7}Li and {11}B NMR in χLi[2]S-(1-χ)B[2]S[3]
Ngai K.L.
Solid State Ionics, Vol: 105, No: 1-4 , 1998
An NMR investigation of the formation of the crystalline complex (PEO)[3]NaClO[4]
Sawers L.J., Tunstall D.P., Bruce P.G.
Solid State Ionics, Vol: 107, No: 1-2 , 1998
Электронный спиновой резонанс и ядерный магнитный резонанс макроструктур натрия в сильно облученных кристаллах NaCl-K: проявление квазиодномерного поведения электронов
Черкасов Ф.Г., Мустафин Р.Г., Львов С.Г., Денисенко Г.А., ден Хартог Х., Вайнштейн Д.И.
Письма в ЖЭТФ, Vol: 67, No: 3-4 , 1998
Исследование ЯМР {6}Li в LiNbO[3]
Яценко А.В.
Физ. тверд. тела, Vol: 40, No: 1 , 1998
Hysteresis-free amorphous chiral nematic reflective guest-host liquid crystal displays
Sugiyama T., Suzuki H., Iimura Y., Kobayashi Sh.
Jpn. J. Appl. Phys., Part 1, Vol: 36, No: 9A , 1997
Computer simulation of liquid crystals
Allen M.P., Brown J.T., Warren M.A.
J. Phys.: Condens. Matter. , Vol: 8, No: 47 , 1996
Layer-thinning transitions in freely suspended smectic-A films
Somoza A.M., Martinez-Raton Y., Mederos L., Sullivan D.E.
J. Phys.: Condens. Matter. , Vol: 8, No: 47 , 1996
Liquid crystal phase transitions in dispersions of rod-like colloidal particles
van Bruggen M.P.B., van Lekkerkerker H.N.W.
J. Phys.: Condens. Matter. , Vol: 8, No: 47 , 1996
Tilting of the CuO[6] octahedra in La[1.83-x]Eu[0.17]Sr[x]CuO[4] as seen by {151}Eu Mossbauer spectroscopy
Friedrich C., Buchner B., Abd-Elmeguid M.M., Micklitz H.
Phys. Rev. B: Condens. Matter, Vol: 54, No: 2 , 1996
Мессбауэровские исследования CoGa[2-x]Fe[x]O[4] (X=0,8; 1)
Султанов Г.Д., Сеидов З.Ю., Каплиенко А.И.
Физ. низ. температур, Vol: 22, No: 4 , 1996
High-resolution multiple quantum MAS NMR spectroscopy of half-integer quadrupolar nuclei.(Chem. Phys. Letters 249 (1996) 210). Erratum
Wu G., Rovnyak D., Sun B., et al.
Chem. Phys. Lett., Vol: 257, No: 3-4 , 1996
The effect of spin decoupling on line shapes in solid-state nuclear magnetic resonance
Sachleben Joseph R., Caldarelli Stefano, Emsley Lyndon
J. Chem. Phys., Vol: 104, No: 7 , 1996
NMR study of choline methyl group of phospholides
Zhou Z., Okumura Y., Sunamoto J.
Proc. Jap. Acad. B, Vol: 72, No: 2 , 1996
Density functional model of anchoring energy at a liquid crystalline polymer-solid interface
Terentjev E.M.
J. phys. Sec. 2., Vol: 5, No: 1 , 1995
Ab initio calculations of crystal field in MAl[2] (M=La, Y, Sc) Laves phases
Divis M., Kuriplach J., Novak P.
J. Magn. Magn. Mater., Vol: 140-1, No: Pt 2 , 1995
Crystal morphology supports the liquid crystal formation mechanism for the mesoporous molecular sieve MCM-41
Cheng Ch.-F., He H., Zhou W., Klinowski J.
Chem. Phys. Lett., Vol: 244, No: 1-2 , 1995
Time-differential perturbed-angular-correlation and emission Mossbayer studies on {99}Ru dispersed in YBa[2]Cu[3]O[6.8] and UBa[2]Cu[3]O[6]
Ohkubo Y., Kobayashi Y., Harasawa K., Ambe S., Okada T., Ambe F., Asai K., Shibata S.
J. Phys. Chem, Vol: 99, No: 26 , 1995
Cu(2) derived molecular field on Yb{3+} in TmBa[2]Cu[3]O[6] and YbBa[2]Cu[3]O[6]
Hodges J.A., Bonville P., Imbert P., Pinatel-Phillipot A.
J. Magn. Magn. Mater., Vol: 140-1, No: Pt 2 , 1995
A Mossbauer study of the nanocrystallization process in Fe[73.5]CuNb[3]Si[17.5]B[5] alloy
Pradell T., Clavaguera N., Zhu J., Clavaguera-Mora M.T.
J. Phys.: Condens. Matter. , Vol: 7, No: 21 , 1995
Numerical evaluation of Mossbauer spectra from thick absorbers
Stieler W., Hillberg M., Litterst F.J., Bottger Ch., Hesse J.
Nucl. Instrum. Methods Phys. Res., Sect. B , Vol: 95, No: 2 , 1995
Quadrupole doublet inequality in granular Mossbauer absorbers, produced by elongated or flat crystals
Whipple E.R.
Nucl. Instrum. Methods Phys. Res., Sect. A , Vol: 95, No: 4 , 1995
The elasticity of ideal polymer chains
Altenberger A.R., Rosa E., Jr, Dahler J.S.
J. Chem. Phys., Vol: 100, No: 4 , 1994
Nonequilibrium phase winding and its breakdown at a chiral interface
Brand H.R., Cladis P.E.
J. Electron. Mater., Vol: 72, No: 1 , 1994
The electronic structure of organometallic complexes of the f elements. XXXVI. Parameterization of the crystal field splitting pattern of (CH[3]OCH[2]CH[2]C[5]H[4])[3]Sm{III}
Qian C., Wang B., Edelstein N., et al.
J. Alloys Compd. , Vol: 207-2, No: , 1994
Two-dimensional electron paramagnetic resonance spectroscopy of nitroxides: Elucidation of restricted molecular motions in glassy solids
Dubinskii A.A., Maresch G.G., Spiess H.-W.
J. Chem. Phys., Vol: 100, No: 4 , 1994
Acoustic absorption in high-temperature superconductors due to pseudo-Jahn-Teller centres
Mihailov L., Manov A., Vavrek A.
J. Alloys Compd. , Vol: 211-2, No: , 1994
Дырочные центры в LaSrAl[1-x]Cu[x]O[4-δ] и магнитные ян-теллеровские поляроны в La[2]CuO[4+δ]
Яблоков Ю.В., Иванова Т.А., Усачев А.Е., Райнен Т.А., Кэспер У.
Письма в ЖЭТФ, Vol: 60, No: 11-12 , 1994
Дальнее сверхтонкое взаимодействие в макрорадикалах полиэтилена
Квачадзе Н.Г., Томашевский Э.Е.
Физ. тверд. тела, Vol: 36, No: 5 , 1994
The thermal reactions of talc studied by {29}Si and {25}Mg MAS NMR
MacKenzie K.J.D., Meinhold R.H.
Thermochim. acta, Vol: 244, No: , 1994
Electric-field gradients at the {181}Ta impurity site in Yb, Y, and Dy sesquioxides
Pasquevich A.F., Bibiloni A.G., Massolo C.P., Renteria M., Vercesi J.A.
Phys. Rev. B: Condens. Matter, Vol: 49, No: 20 , 1994
Electric-field gradient in binary oxides at the {111}Cd impurity site
Weht R., Fabricius G., Weissmann M., Renteria M., Massolo C.P., Bibiloni A.G.
Phys. Rev. B: Condens. Matter, Vol: 49, No: 21 , 1994
Microscopic theory of cooperative Jahn-Teller effect in CsCuCl[3]
Ogihara T., Ohnari I.
Mater. Sci. and Eng. B, Vol: 18, No: 1 , 1993
Кристаллическое поле в соединении Nd[2]CuO[4]
Музычка А.Ю., Горемычкин Е.А., Натканец И., Сашин И.Л., Дивиш М.
Сверхпроводимость: Физ., химия, техн, Vol: 5, No: 8 , 1992
Optimization of chemical-shift-based polarization gradients in {1}H NMR spin-diffusion experiments on polymer blends with chemically similar constituents
Campbell G.C., VanderHart D.L.
J. Magn. Reson, Vol: 96, No: 1 , 1992
One-dimensional heteronuclear chemical-shift correlation using chemical-shift-selective filters
Uhrin D., Batta Gy., Kover K.E.
J. Magn. Reson, Vol: 97, No: 1 , 1992
Gradient-echo shifting in fast MRI techniques (GRASE imaging) for correction of field inhomogeneity errors and chemical shift
Feinberg D.A., Oshio K.
J. Magn. Reson, Vol: 97, No: 1 , 1992
A constant-time three-dimensional triple-resonance pulse scheme to correlate intraresidue {1}H{N}, {15}N, and {13}C` chemical shifts in {15}N-{13}C-labeled proteins
Clubb R.T., Thanabal V., Wagner G.
J. Magn. Reson, Vol: 97, No: 1 , 1992
Monitoring of photopolymerization processes by NMR imaging
Gunther U., Albert K., Grossa M.
J. Magn. Reson, Vol: 98, No: 3 , 1992
Report of the U.S. Department of Energy Fusion Energy Sciences Advisory Committee (FESAC) panel reviewing the theory and computing program
Sheffield John, Antonsen Thomas M., Jr, Berry Lee A. et al.
J. Fusion Energy, Vol: 19, No: 3-4