The Nature of the Chemical Bond. V

Cited by (251)

Items 101–200 of 251

1. Extent and feature of lattice distortions around Ga impurity atoms in InSb single crystal
   Shinya Hosokawa, Naohisa Happo, T. Ozaki, Hiroyuki Ikemoto, T. Shishido, Kouichi Hayashi · 2013 · Physical Review B
2. Atomic and Electronic Structures of GaN/ZnO Alloys
   Shuzhi Wang, Lin‐Wang Wang · 2010 · Physical Review Letters
3. Investigations of the Structure of Water Using Mid-IR Fiberoptic Evanescent Wave Spectroscopy
   Yosef Raichlin, Arnon Millo, Abraham Katzir · 2004 · Physical Review Letters
4. Characterization of hydroxyl groups on water-reacted Si(001)−2×1 using synchrotron radiation O 1s core-level spectroscopies and core-excited state density-functional calculations
   S. Carniato, Jean‐Jacques Gallet, F. Rochet, G. Dufour, Fabrice Bournel, Sylvie Rangan, Alberto Verdini, Luca Floreano · 2007 · Physical Review B
5. Dynamics of diluted Ho spin ice Ho2−xYxTi2O7 studied by neutron spin echo spectroscopy and ac susceptibility
   Georg Ehlers, J. S. Gardner, Corwin H. Booth, M. Daniel, Kinson C. Kam, Anthony Kevin Cheetham, Daniel Antonio, H. E. Brooks, A. L. Cornelius, S. T. Bramwell et al. · 2006 · Physical Review B
6. Local atomic strain in ZnSe1−xTex from high real-space resolution neutron pair distribution function measurements
   Peter F. Peterson, Thomas E. Proffen, I.-K. Jeong, Simon J. L. Billinge, Kyoung Shin Choi, Mercouri G. Kanatzidis, Paolo G. Radaelli · 2001 · Physical review. B, Condensed matter
7. Superprotonic phase transition of CsHSO4 : A molecular dynamics simulation study
   Calum R. I. Chisholm, Yun Hee Jang, Sossina Mariam Haile, William A. Goddard · 2005 · Physical Review B
8. Die R AMAN ‐Spektren der Methylborchloride
   H. J. Becher · 1953 · Zeitschrift für anorganische und allgemeine Chemie
9. Bonding of H in O vacancies of ZnO : Density functional calculations
   Hiroyuki Takenaka, D. J. Singh · 2007 · Physical Review B
10. Composition-dependent bond lengths in crystalline and amorphized GexSi1−x alloys
    M. C. Ridgway, Kin Man Yu, Chris J. Glover, G. J. Foran, Catherine Clerc, J. Lundsgaard Hansen, Arne Nylandsted Larsen · 1999 · Physical review. B, Condensed matter
11. Ground state entropy of Potts antiferromagnets and the approach to the two-dimensional thermodynamic limit
    Robert E. Shrock, Shan-Ho Tsai · 1998 · Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
12. Core Level Chemical Shifts in Metallic Alloys
    J. S. Faulkner, Yang Wang, G. Malcolm Stocks · 1998 · Physical Review Letters
13. Ionicity scale based on the centers of maximally localized Wannier functions
    Hazem Abu‐Farsakh, Abdallah Qteish · 2007 · Physical Review B
14. Partial Order and Finite-Temperature Phase Transitions in Potts Models on Irregular Lattices
    Qiaoni Chen, Mingpu Qin, Jialin Chen, Z. C. Wei, Hui‐Hai Zhao, Bruce Normand, Tao Xiang · 2011 · Physical Review Letters
15. Comparison of ion sites and diffusion paths in glasses obtained by molecular dynamics simulations and bond valence analysis
    Christian Müller, E. Zienicke, Stefan N. Adams, Junko Habasaki, Philipp Maass · 2007 · Physical Review B
16. Linking Surface Stress to Surface Structure: Measurement of Atomic Strain in a Surface Alloy using Scanning Tunneling Microscopy
    Gayle Echo Thayer, Norman C. Bartelt, Vidvuds Ozoliņš, Andreas K. Schmid, S. Chiang, R. Q. Hwang · 2002 · Physical Review Letters
17. Noncontact atomic force microscope topography dependent on the electrostatic dipole field of individual molecules
    Akira Sasahara, Hiroshi Uetsuka, Hiroshi Ōnishi · 2001 · Physical review. B, Condensed matter
18. Spin coupling around a carbon atom vacancy in graphene
    Marina Casartelli, Simone Casolo, Gian Franco Tantardini, Rocco Martinazzo · 2013 · Physical Review B
19. Possible pitfalls in theoretical determination of ground-state crystal structures: The case of platinum nitride
    Xiuwen Zhang, Giancarlo Trimarchi, Alex Zunger · 2009 · Physical Review B
20. Bond lengths in Ge1−xSix crystalline alloys grown by the Czochralski method
    Ichiro Yonenaga, Masaki Sakurai · 2001 · Physical review. B, Condensed matter
21. Localized Magnetic Moments and Pauling Valence in Manganese Metal, Some 3d-Transition Alloys and Intermetallic Compounds
    Nobuo Môri, Tadayasu Mitsui · 1968 · Journal of the Physical Society of Japan
22. Fate of the Resonating Valence Bond in Graphene
    Mariapia Marchi, Sam Azadi, Sandro Sorella · 2011 · Physical Review Letters
23. Structural analysis of the semiconductor-semimetal alloy Cd1−xHgxTe by infrared lattice-vibration spectroscopy
    S. P. Kozyrev, L. K. Vodop’yanov, Robert Triboulet · 1998 · Physical review. B, Condensed matter
24. Fe-doped CuInSe2 : Anab initiostudy of magnetic defects in a photovoltaic material
    Jean‐Marc Raulot, Christophe Domain, Jean‐François Guillemoles · 2005 · Physical Review B
25. Product-state control of bi-alkali-metal chemical reactions
    Edmund Meyer, John L. Bohn · 2010 · Physical Review A
26. The conjugated-circuit model
    Sonja Nikolić, Nenad Trinajstić, Douglas J. Klein · 1990 · Computers & Chemistry
27. Geometric and electronic structure of the N∕Rh(100) system by core-level photoelectron spectroscopy: Experiment and theory
    Laura Bianchettin, Alessandro Baraldi, Stefano de Gironcoli, Silvano Lizzit, L. Petaccia, Erik Vesselli, Giovanni Comelli, Renzo Rosei · 2006 · Physical Review B
28. Spin ice on the trillium lattice studied by Monte Carlo calculations
    Travis E. Redpath, John M. Hopkinson · 2010 · Physical Review B
29. Density functional theory investigation of the interaction of water with α − Al 2 O 3 and α − Fe 2 O 3 ( 1 1 02 ) surfaces: Implications for surface reactivity
    Shela J. Aboud, Jennifer L. Wilcox, Gordon E. Brown · 2011 · Physical Review B
30. Structural and electronic properties of ZnGeAs2
    Anderson Janotti, Su‐Huai Wei, Shengbai Zhang, Sarah Kurtz · 2001 · Physical review. B, Condensed matter
31. Spin-ice behavior in Dy2Sn2−xSbxO7+x∕2 and Dy2NbScO7
    Xianglin Ke, Benjamin G. Ueland, D. V. West, Maria Dahlberg, R. J. Cava, P. Schiffer · 2007 · Physical Review B
32. Embedded-ion method: An analytical energy-conserving charge-transfer interatomic potential and its application to the La-Br system
    Xiaowang Zhou, F. Patrick Doty · 2008 · Physical Review B
33. Light-induced relief gratings and a mechanism of metastable light-induced expansion in chalcogenide glasses
    Sandra Helena Messaddeq, Victor K. Tikhomirov, Younès Messaddeq, Dimitrij Ležal, Máximo Siu Li · 2001 · Physical review. B, Condensed matter
34. Stability of a Flexible Polar Ionic Crystal Surface: Metastable Alumina and One-Dimensional Surface Metallicity
    Carlo Ruberto, Yashar Yourdshahyan, Bengt I. Lundqvist · 2002 · Physical Review Letters
35. Dielectric properties and lattice dynamics of α -PbO 2 -type TiO 2 : The role of soft phonon modes in pressure-induced phase transition to baddeleyite-type TiO 2
    Yongqing Cai, Chun Zhang, Yuan Ping Feng · 2011 · Physical Review B
36. Structural and electronic properties of pyrochlore-type A2 Re 2 O 7 ( A=Ca , Cd, and Pb)
    Kenya Ohgushi, Jun-Ichi Yamaura, Masaki Ichihara, Yoko Kiuchi, Takashi Tayama, Toshiro Sakakibara, Hirotada Gotou, Takehiko Yagi, Yutaka Ueda · 2011 · Physical Review B
37. Crystal Structure of Ammonium Dihydrogen Phosphate NH4H2PO4
    Ryuzo Ueda · 1948 · Journal of the Physical Society of Japan
38. Sign of covalency in AlPdRe icosahedral quasicrystals obtained from atomic density and quasilattice constant
    Kazuhiro Kirihara, Kaoru Kimura · 2001 · Physical review. B, Condensed matter
39. Phase-correct bond lengths in crystalline GexSi1−x alloys
    JOSEPH C. WOICIK, Ken E. Miyano, C. A. King, R. W. Johnson, Joe Pellegrino, T.-L. Lee, Z. H. Lu · 1998 · Physical review. B, Condensed matter
40. Triphenylsilylcarbyne Complexes of Tungsten
    Ernst Otto Fischer, Helmut Hollfelder, Péter Friedrich, Fritz Roland Kreißl, Gottfried Hüttner · 1977 · Angewandte Chemie International Edition in English
41. Recent advances in simple valence‐bond theory and the theory of hybrid bond orbitals
    Zelek S. Herman · 1983 · International Journal of Quantum Chemistry
42. Effect of concentration in Ge-Te liquids: A combined density functional and neutron scattering study
    M. Micoulaut, Marie‐Vanessa Coulet, PIARRISTEGUY Andrea Alejandra, Mark Robert Johnson, Gabriel Julio Cuello, Christophe Bichara, Jean‐Yves Raty, Hugo M. Flores‐Ruiz, A. Pradel · 2014 · Physical Review B
43. Coordination defects in bismuth-modified arsenic selenide glasses: High-resolution x-ray photoelectron spectroscopy measurements
    R. Golovchak, Oleh I. Shpotyuk, Andriy P. Kovalskiy, Alfred C. Miller, Jiří Čech, Himanshu Jain · 2008 · Physical Review B
44. Ground-state entropy of the Potts antiferromagnet with next-nearest-neighbor spin-spin couplings on strips of the square lattice
    Shu-Chiuan Chang, Robert E. Shrock · 2000 · Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
45. Structure of singly terminated polar DyScO 3 (110) surfaces
    J.E. Kleibeuker, Bouwe Kuiper, Sybolt Harkema, Dave H. A. Blank, Gertjan Koster, Guus Rijnders, Paul Tinnemans, Elias Vlieg, Pim B. Rossen, Wolter Siemons et al. · 2012 · Physical Review B
46. Understanding the superior thermoelectric performance of Sb precipitated Ge 17 Sb 2 Te 20
    Jared B. Williams, Donald T. Morelli · 2016 · Journal of Materials Chemistry C
47. Simple model for relating EELS and XAS spectra of metals to changes in cohesive energy
    David Anthony Muller · 1998 · Physical review. B, Condensed matter
48. Bond Lengths and Bond Strengths in Weak and Strong Chemisorption: N2 , CO, and CO/H on Nickel Surfaces
    D. I. Sayago, J. T. Hoeft, Martin Polcik, M. Kittel, Rachel L. Toomes, J. Robinson, David Phillip Woodruff, M. Pascal, Christine L. A. Lamont, Gareth A. A. Nisbet · 2003 · Physical Review Letters
49. Quantum-mechanical and computational aspects of the conjugated-circuit model
    Nenad Trinajstić, Sonja Nikolić, Daniel Klein · 1991 · Journal of Molecular Structure THEOCHEM
50. Strain relaxation mechanisms and local structural changes in Si1−xGex alloys
    Ming Yu, C. S. Jayanthi, David Alan Drabold, Shiyu Wu · 2001 · Physical review. B, Condensed matter
51. On the Relationship between Superconductivity and the Communal Entropy of the Crystal Structure
    J. S. Rajput, Ashok Kumar Gupta · 1966 · Journal of the Physical Society of Japan
52. Hubbard Model on the Pyrochlore Lattice: A 3D Quantum Spin Liquid
    Bruce Normand, Zohar Nussinov · 2014 · Physical Review Letters
53. Extension of the zinc paratacamite phase diagram: Probing the effect of spin vacancies in an S=12 kagome antiferromagnet
    M. A. de Vries, Dirk Wulferding, P. Lemmens, James S. Lord, Andrew Harrison, P. Bonville, F. Bert, P. Mendels · 2012 · Physical Review B
54. First-principles study of the energy-gap composition dependence of Zn1−xBexSe ternary alloys
    Abid Berghout, A. Zaoui, J. Hugel, M. Ferhat · 2007 · Physical Review B
55. Phase stability, electronic, mechanical, lattice distortion, and thermal properties of complex refractory-based high entropy alloys TiVCrZrNbMoHfTaW with varying elemental ratios
    Sahib Hasan, Puja Adhikari, Saro San, W. Y. Ching · 2025 · RSC Advances
56. Raman scattering from the filled tetrahedral semiconductor LiMgN: Identification of the disordered arrangement between Li and Mg
    K. Kuriyama, Y. Yamashita, T. Ishikawa, Kazumasa Kushida · 2007 · Physical Review B
57. Electron localization function for two-dimensional systems
    E. Räsänen, Alberto Castro, Eberhard K. U. Gross · 2008 · Physical Review B
58. Role of Ag doping in Ba8Si46 compounds
    N. Kamakura, Takayoshi Nakano, Yuka Ikemoto, Manabu Usuda, Hiroshi Fukuoka, S. Yamanaka, S. Shin, Kensuke Kobayashi · 2005 · Physical Review B
59. Probing the vibrational spectroscopic properties and binding mechanism of anti-influenza agent Liquiritin using experimental and computational studies
    B. Sathya, S. Karthi, Ajaijawahar Kaliyaperumal, M. Prasath · 2020 · Research on Chemical Intermediates
60. Band alignment at the SiO 2 /HfO 2 interface: Group IIIA versus group IIIB metal dopants
    Xuhui Luo, Gennadi I. Bersuker, Alexander A. Demkov · 2011 · Physical Review B
61. Slater Ice Rules and H-Bond Dynamics in KDP-Type Systems
    R. Kind, Paola Maria Cereghetti, Christian Anton Jeitziner, Boštjan Zalar, J. Dolinšek, R. Blinc · 2002 · Physical Review Letters
62. Surface x-ray diffraction on K/Si(001)(2×1) and Cs/Si(001)(2×1)
    Holger L. Meyerheim, N. Jedrecy, M. Sauvage-Simkin, Robert Pinchaux · 1998 · Physical review. B, Condensed matter
63. Spectroscopic investigations, quantum chemical calculations and molecular docking studies of Mangiferin - an anti-viral agent of H1N1 Influenza virus
    Sathya Bangaru, M. Prasath, S. Muthu · 2020 · Chemical Data Collections
64. Density-functional theory investigation of oxygen adsorption at Pd(11N) vicinal surfaces (N=3,5,7) : Influence of neighboring steps
    Yong-Sheng Zhang, Jutta Rogal, Karsten Reuter · 2006 · Physical Review B
65. Exact T=0 partition functions for Potts antiferromagnets on sections of the simple cubic lattice
    Jesús Salas, Robert E. Shrock · 2001 · Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
66. Microscopic dynamics and relaxation processes in liquid hydrogen fluoride
    Roberta Angelini, P. Giura, D. Fioretto, G. Monaco, Giancarlo Ruocco, F. Sette · 2004 · Physical Review B
67. First-principles study of adsorption, diffusion, and charge stability of metal adatoms on alkali halide surfaces
    M. H. Hakala, Olli H. Pakarinen, Adam Stuart Foster · 2008 · Physical Review B
68. Chemical origin of polarization-dependent photoinduced changes in an As36Se64 glass film viain situsynchrotron x-ray photoelectron spectroscopy
    Keisha Antoine, Himanshu Jain, Miroslav Vlček, Sanjaya D. Senanayake, David Alan Drabold · 2009 · Physical Review B
69. Strain Relief through Heterophase Interface Reconstruction: Ag(111)/Ru(0001)
    Wai Li Ling, Juan de la Figuera, Norman C. Bartelt, R. Q. Hwang, Andreas K. Schmid, Gayle Echo Thayer, J. C. Hamilton · 2004 · Physical Review Letters
70. Trend for the multilayer relaxation sequence of stepped Cu surfaces
    Juarez L. F. Da Silva, Kurt Schroeder, Stefan Blügel · 2004 · Physical Review B
71. Quantum chemistry: The early period
    Walter Heinrich Heitler · 1967 · International Journal of Quantum Chemistry
72. Magnetic resonance study of multiwall boron nitride nanotubes
    Alexander M. Panich, Alex Shames, Natalie Froumin, Chengchun Tang, Yoshio Bando · 2005 · Physical Review B
73. Cluster calculational approach to tellurite glasses
    Shigeru Suehara, Shunichi Hishita, Satoru Inoue, Akihiko Nukui · 1998 · Physical review. B, Condensed matter
74. Effective charge on silicon atom in the metal silicides Mg2Si and CaSi
    Hideshi Ishii, Shuji Matsuo, Pavel Karimov, Koki Tanaka, Jun Kawai · 2005 · Physical Review B
75. Electronic structure of Ba3CuSb2O9 : A candidate quantum spin liquid compound
    K. V. Shanavas, Zoran S. Popović, S. Satpathy · 2014 · Physical Review B
76. Perovskite Distortion Inverted: Crystal Structures of ( A 3 N)As ( A = Mg, Ca, Sr, Ba)
    Dominik Stoiber, Rainer Niewa · 2018 · Zeitschrift für anorganische und allgemeine Chemie
77. Quantum and Classical Relaxation in the Proton Glass
    Yejun Feng, C. Ancona-Torres, T. F. Rosenbaum, George Reiter, D. L. Price, E. Courtens · 2006 · Physical Review Letters
78. Structure of the Cl-passivated GaAs(111) surface
    Z. H. Lu, Tolek Tyliszczak, Adam P. Hitchcock · 1998 · Physical review. B, Condensed matter
79. Exploring flexibility, intermolecular interactions and ADMET profiles of anti-influenza agent isorhapontigenin: A quantum chemical and molecular docking study
    Sathya Bangaru, M. Govindammal, M. Srinivasan, Prasath Manivannan · 2022 · Heliyon
80. Coulombic charge ice
    Paul McClarty, Aroon O’Brien, Frank Pollmann · 2014 · Physical Review B
81. Coordination Mechanism and Bio-Evidence: Reactive γ-Ketoenal Intermediated Hepatotoxicity of Psoralen and Isopsoralen Based on Computer Approach and Bioassay
    Yue Hai, Shan Feng, Lili Wang, Yetao Ma, Yiran Zhai, Zijun Wu, Sichao Zhang, Xin He · 2017 · Molecules
82. Crystal Structure of Na3NO4
    Martin Jansen · 1979 · Angewandte Chemie International Edition in English
83. Zersetzung von Hexachlordisilan an Kupfer und in Glasgefäßen
    Hans Wolfgang Kohlschütter, H. Mattner · 1955 · Zeitschrift für anorganische und allgemeine Chemie
84. Effect of Pauli Blockade on Spin-Dependent Diffusion in a Degenerate Electron Gas
    Fabian Cadiz, Daniel Paget, Alistair C H Rowe · 2013 · Physical Review Letters
85. Probing the structural properties, binding mode and intermolecular interactions of herbacetin against H1N1 neuraminidase using vibrational spectroscopic, quantum chemical calculation and molecular docking studies
    Sathya Bangaru, M. Prasath · 2021 · Research on Chemical Intermediates
86. Predicted properties of Nd1.5Ce0.5Sr2Cu2NbO10 and related high-temperature superconductors
    Howard A. Blackstead, John D. Dow · 1998 · Physical review. B, Condensed matter
87. Vibrational modes of carbon acceptors and hydrogen-carbon pairs in semi-insulating InP doped using CCl4
    B. R. Davidson, R. C. Newman, Chris Button · 1998 · Physical review. B, Condensed matter
88. Spectrophotometric and computational insights into the 2-ethylimidazole–3,5-dinitrobenzoic acid complex: BSA interaction and antimicrobial activity
    Farha Naaz, Ishaat M. Khan, Sonam Shakya, M. Saif Islam, Nisat Alam, Abdullah Alarifi, Xiang Li · 2025 · New Journal of Chemistry
89. Correlation between the ionic potential and thermal stability of metal borohydrides: First-principles investigations
    Piotr Błoński, Zbigniew Łodziana · 2014 · Physical Review B
90. Deactivation mechanism of In atoms doped in a Si crystal and reactivation due to codoping with B and C
    Jun Yamauchi, Nobutoshi Aoki · 2005 · Physical Review B
91. Relaxation models of the (110) zinc-blende III-V semiconductor surfaces: Density functional study
    Honggang Ye, Guangde Chen, Yelong Wu, Youzhang Zhu, Su‐Huai Wei · 2008 · Physical Review B
92. Broad-band emission of A 3 B′B′′ 2 O 9 complex perovskites (A = Ba, Sr; B′ = Zn; B′′ = Ta, Nb) realized by structural variations of the B site order–disorder
    Xiaohui Li, Lei Zhou, Miroslav D. Dramićanin, Qiang Tang, Xiping Jing, Jianxin Shi, Yiqin Xu, Mingmei M. Wu · 2018 · Journal of Materials Chemistry C
93. Stability of a planar-defect structure of the wurtzite AlN (101¯0) surface: Density functional study
    Honggang Ye, Guangde Chen, Yelong Wu, Youzhang Zhu, Su‐Huai Wei · 2009 · Physical Review B
94. Possibility of measuring intrinsic electronic correlations in graphene using a d -wave contact Josephson junction
    Annica M. Black‐Schaffer, Sebastian Doniach · 2010 · Physical Review B
95. Effect of nearest neighbor spin-singlet correlations in conventional graphene SNS Josephson junctions
    Annica M. Black‐Schaffer, Sebastian Doniach · 2009 · Physical Review B
96. Effects of hydrogenation on the local structure of InxGa1−xAs1−yNy quantum wells and GaAs1−yNy epilayers
    G. Ciatto, H. Renevier, Maria Grazia Proietti, A. Polimeni, M. Capizzi, S. Mobilio, F. Boscherini · 2005 · Physical Review B
97. Two-state protein model with water interactions: Influence of temperature on the intrinsic viscosity of myoglobin
    Audun Bakk · 2001 · Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
98. Short-range spin correlations in β″-LiFeO2 from bulk magnetization, neutron diffraction, and μSR experiments
    Ryota Akiyama, Yutaka Ikedo, Martin Må̊nsson, T. Goko, Jun Sugiyama, Daniel Andreica, Alex Amato, K. Matan, T. Sato · 2010 · Physical Review B
99. Color shift in Al 2 O 3 ⋅ x Cr 2 O 3 solid solutions and the electroneutrality principle
    Juan María García-Lastra, M. T. Barriuso, J. A. Aramburu, M. Moreno · 2009 · Physical Review B
100. Disordered atomic column state in Fe-Mo alloys
     Akihiko Hirata, Yasuhito Koyama · 2004 · Physical Review B