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Mike H. Whangbo - Publications

Affiliations: 
1970-1977 Chemistry Queens University, Ontario 
 1977- Chemistry North Carolina State University, Raleigh, NC 
Area:
Physical Chemistry, Statistics
Website:
https://chemistry.sciences.ncsu.edu/people/whangbo/
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70 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Uma S, Vasilchikova T, Sobolev A, Raganyan G, Sethi A, Koo HJ, Whangbo MH, Presniakov I, Glazkova I, Vasiliev A, Streltsov S, Zvereva E. Synthesis and Characterization of Sodium-Iron Antimonate NaFeSbO: One-Dimensional Antiferromagnetic Chain Compound with a Spin-Glass Ground State. Inorganic Chemistry. PMID 31411867 DOI: 10.1021/Acs.Inorgchem.9B00212  0.326
2017 Nalbandyan VB, Zvereva EA, Shukaev IL, Gordon E, Politaev VV, Whangbo MH, Petrenko AA, Denisov RS, Markina MM, Tzschoppe M, Bukhteev KY, Klingeler R, Vasiliev AN. AMnXOFamily (A = Li, Na, Ag; X = Si, Ge): Structural and Magnetic Properties. Inorganic Chemistry. 56: 14023-14039. PMID 29087200 DOI: 10.1021/acs.inorgchem.7b02130  0.308
2017 Golubev A, Dinnebier RE, Schulz A, Kremer RK, Langbein H, Senyshyn A, Law JM, Hansen TC, Koo HJ, Whangbo MH. Structural and Magnetic Properties of the Trirutile-type 1D-Heisenberg Anti-Ferromagnet CuTa2O6. Inorganic Chemistry. PMID 28481108 DOI: 10.1021/Acs.Inorgchem.7B00421  0.316
2015 Whangbo MH, Gordon EE, Xiang H, Koo HJ, Lee C. Prediction of Spin Orientations in Terms of HOMO-LUMO Interactions Using Spin-Orbit Coupling as Perturbation. Accounts of Chemical Research. PMID 26616364 DOI: 10.1021/acs.accounts.5b00408  0.322
2015 Kim HH, Yu IH, Kim HS, Koo HJ, Whangbo MH. On Why the Two Polymorphs of NaFePO4 Exhibit Widely Different Magnetic Structures: Density Functional Analysis. Inorganic Chemistry. 54: 4966-71. PMID 25928193 DOI: 10.1021/acs.inorgchem.5b00577  0.303
2015 Nalbandyan VB, Zvereva EA, Nikulin AY, Shukaev IL, Whangbo MH, Koo HJ, Abdel-Hafiez M, Chen XJ, Koo C, Vasiliev AN, Klingeler R. New phase of MnSb2O6 prepared by ion exchange: structural, magnetic, and thermodynamic properties. Inorganic Chemistry. 54: 1705-11. PMID 25622135 DOI: 10.1021/ic502666c  0.331
2015 Zvereva EA, Nalbandyan VB, Evstigneeva MA, Koo HJ, Whangbo MH, Ushakov AV, Medvedev BS, Medvedeva LI, Gridina NA, Yalovega GE, Churikov AV, Vasiliev AN, Büchner B. Magnetic and electrode properties, structure and phase relations of the layered triangular-lattice tellurate Li4NiTeO6 Journal of Solid State Chemistry. 225: 89-96. DOI: 10.1016/J.Jssc.2014.12.003  0.304
2014 Bao S, Ma C, Chen G, Xu X, Enriquez E, Chen C, Zhang Y, Bettis JL, Whangbo MH, Dong C, Zhang Q. Ultrafast atomic layer-by-layer oxygen vacancy-exchange diffusion in double-perovskite LnBaCo2O5.5+δ thin films. Scientific Reports. 4: 4726. PMID 24751601 DOI: 10.1038/Srep04726  0.7
2014 Hu S, Johnsson M, Law JM, Bettis JL, Whangbo MH, Kremer RK. Crystal structure and magnetic properties of FeSeO(3)F--alternating antiferromagnetic S = 5/2 chains. Inorganic Chemistry. 53: 4250-6. PMID 24684563 DOI: 10.1021/ic5003995  0.744
2013 Guguchia Z, Caslin K, Kremer RK, Keller H, Shengelaya A, Maisuradze A, Bettis JL, Köhler J, Bussmann-Holder A, Whangbo MH. Nonlinear pressure dependence of TN in almost multiferroic EuTiO3. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 376002. PMID 23963024 DOI: 10.1088/0953-8984/25/37/376002  0.71
2013 Nénert G, Bettis J, Kremer R, Ben Yahia H, Ritter C, Gaudin E, Isnard O, Whangbo MH. Magnetic properties of the RbMnPO4 zeolite-ABW-type material: a frustrated zigzag spin chain. Inorganic Chemistry. 52: 9627-35. PMID 23901880 DOI: 10.1021/ic401408f  0.739
2012 Ben Yahia H, Shikano M, Koike S, Tatsumi K, Kobayashi H, Kawaji H, Avdeev M, Miiller W, Ling CD, Liu J, Whangbo MH. Synthesis and characterization of the crystal structure and magnetic properties of the new fluorophosphate LiNaCo[PO4]F. Inorganic Chemistry. 51: 8729-38. PMID 22857520 DOI: 10.1021/Ic300374W  0.306
2012 Lee C, Liu J, Whangbo MH, Koo HJ, Kremer RK, Simon A. Investigation of the spin exchange interactions and the magnetic structure of the high-temperature multiferroic CuBr 2 Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/PhysRevB.86.060407  0.304
2012 Meddar L, Josse M, Maglione M, Guiet A, La C, Deniard P, Decourt R, Lee C, Tian C, Jobic S, Whangbo M, Payen C. Increasing the Phase-Transition Temperatures in Spin-Frustrated Multiferroic MnWO4 by Mo Doping Chemistry of Materials. 24: 353-360. DOI: 10.1021/Cm2031653  0.588
2011 Xiang HJ, Kan EJ, Zhang Y, Whangbo MH, Gong XG. General theory for the ferroelectric polarization induced by spin-spiral order. Physical Review Letters. 107: 157202. PMID 22107316 DOI: 10.1103/Physrevlett.107.157202  0.567
2011 Zhang D, Kremer RK, Lemmens P, Choi KY, Liu J, Whangbo MH, Berger H, Skourski Y, Johnsson M. Crystal structure and magnetic properties of two new antiferromagnetic spin dimer compounds; FeTe3O7X (X = Cl, Br). Inorganic Chemistry. 50: 12877-85. PMID 22077393 DOI: 10.1021/ic202093s  0.326
2011 Zhang Y, Whangbo MH. Density functional analysis of the spin exchange interactions and charge order patterns in the layered magnetic oxides YBaM2O5 (M = Mn, Fe, Co). Inorganic Chemistry. 50: 10643-7. PMID 21942382 DOI: 10.1021/Ic200963G  0.596
2011 Tang M, Li D, Mallik UP, Zhang YZ, Clérac R, Yee GT, Whangbo MH, Mungalimane A, Holmes SM. Synthesis and characterization of di- and trivalent pyrazolylborate β-diketonates and cyanometalates. Inorganic Chemistry. 50: 5153-64. PMID 21520919 DOI: 10.1021/Ic200464T  0.529
2011 Tian C, Wibowo AC, zur Loye HC, Whangbo MH. On the magnetic insulating states, spin frustration, and dominant spin exchange of the ordered double-perovskites Sr2CuOsO6 and Sr2NiOsO6: density functional analysis. Inorganic Chemistry. 50: 4142-8. PMID 21443168 DOI: 10.1021/Ic200167J  0.591
2011 Koo HJ, Lee C, Whangbo MH, McIntyre GJ, Kremer RK. On the nature of the spin frustration in the CuO2 ribbon chains of LiCuVO4: crystal structure determination at 1.6 K, magnetic susceptibility analysis, and density functional evaluation of the spin exchange constants. Inorganic Chemistry. 50: 3582-8. PMID 21425786 DOI: 10.1021/ic102518t  0.315
2011 Zhang Y, Kan E, Xiang H, Villesuzanne A, Whangbo MH. Density functional theory analysis of the interplay between Jahn-Teller instability, uniaxial magnetism, spin arrangement, metal-metal interaction, and spin-orbit coupling in Ca3CoMO6 (M = Co, Rh, Ir). Inorganic Chemistry. 50: 1758-66. PMID 21247101 DOI: 10.1021/ic1022278  0.569
2011 Ben Yahia H, Gaudin E, Boulahya K, Darriet J, Son WJ, Whangbo MH. Synthesis and characterization of the crystal structure and magnetic properties of the ternary manganese vanadate NaMnVO4. Inorganic Chemistry. 49: 8578-82. PMID 20731409 DOI: 10.1021/ic101180h  0.314
2011 Zhang Y, Kan E, Whangbo MH. Density functional investigation of the difference in the magnetic structures of the layered triangular antiferromagnets CuFeO2 and AgCrO2 Chemistry of Materials. 23: 4181-4185. DOI: 10.1021/Cm2011567  0.599
2010 Tian C, Lee C, Kan E, Wu F, Whangbo MH. Analysis of the magnetic structure and ferroelectric polarization of monoclinic MnSb(2)S(4) by density functional theory calculations. Inorganic Chemistry. 49: 10956-9. PMID 21038916 DOI: 10.1021/Ic101351B  0.591
2010 Wu F, Kan E, Tian C, Whangbo MH. Theoretical analysis of the spin exchange and magnetic dipole-dipole interactions leading to the magnetic structure of Ni3TeO6. Inorganic Chemistry. 49: 7545-8. PMID 20690764 DOI: 10.1021/Ic101022F  0.595
2010 Tian C, Kan E, Lee C, Whangbo MH. Pi-back-donation effect of the cyanide ligands on the electron correlation and charge transfer in Prussian blue RbMn[Fe(CN)(6)]. Inorganic Chemistry. 49: 3086-8. PMID 20199049 DOI: 10.1021/Ic902577R  0.509
2010 Kan EJ, Xiang HJ, Wu F, Tian C, Lee C, Yang JL, Whangbo M. Prediction for room-temperature half-metallic ferromagnetism in the half-fluorinated single layers of BN and ZnO Applied Physics Letters. 97: 122503. DOI: 10.1063/1.3491416  0.533
2010 Lee C, Kan E, Xiang H, Whangbo MH. Theoretical investigation of the magnetic structure and ferroelectric polarization of the multiferroic langasite Ba3NbFe3Si 2O14 Chemistry of Materials. 22: 5290-5295. DOI: 10.1021/cm101441p  0.329
2009 Koo HJ, Xiang H, Lee C, Whangbo MH. Effect of magnetic dipole-dipole interactions on the spin orientation and magnetic ordering of the spin-ladder compound Sr3Fe2O5. Inorganic Chemistry. 48: 9051-3. PMID 19719142 DOI: 10.1021/ic9007526  0.314
2009 Brinzari TV, Tian C, Halder GJ, Musfeldt JL, Whangbo MH, Schlueter JA. Color properties and structural phase transition in penta- and hexacoordinate isothiocyanato Ni(II) compounds. Inorganic Chemistry. 48: 7650-8. PMID 19591482 DOI: 10.1021/Ic802120N  0.562
2009 Tian C, Lee C, Xiang H, Zhang Y, Payen C, Jobic S, Whangbo M. Magnetic structure and ferroelectric polarization ofMnWO4investigated by density functional calculations and classical spin analysis Physical Review B. 80. DOI: 10.1103/Physrevb.80.104426  0.699
2009 Köhler J, Simon A, Whangbo M. Magnetic Interactions of the 15-Electron Nb6F12Clusters in Nb6F15 Zeitschrift FüR Anorganische Und Allgemeine Chemie. 635: 2396-2398. DOI: 10.1002/Zaac.200900496  0.308
2008 Kabbour H, Janod E, Corraze B, Danot M, Lee C, Whangbo MH, Cario L. Structure and magnetic properties of oxychalcogenides A2F2Fe2OQ2 (A = Sr, Ba; Q = S, Se) with Fe2O square planar layers representing an antiferromagnetic checkerboard spin lattice. Journal of the American Chemical Society. 130: 8261-70. PMID 18533720 DOI: 10.1021/ja711139g  0.322
2008 Liu X, Dronskowski R, Kremer RK, Ahrens M, Lee C, Whangbo MH. Characterization of the magnetic and structural properties of copper carbodiimide, CuNCN, by neutron diffraction and first-principles evaluations of its spin exchange interactions Journal of Physical Chemistry C. 112: 11013-11017. DOI: 10.1021/Jp8007199  0.351
2008 Manson JL, Conner MM, Schlueter JA, McConnell AC, Southerland HI, Malfant I, Lancaster T, Blundell SJ, Brooks ML, Pratt FL, Singleton J, McDonald RD, Lee C, Whangbo MH. Experimental and theoretical characterization of the magnetic properties of CuF 2(H 2O) 2(pyz) (pyz = pyrazine): A two-dimensional quantum magnet arising from supersuperexchange interactions through hydrogen bonded paths Chemistry of Materials. 20: 7408-7416. DOI: 10.1021/Cm8016566  0.327
2006 Koo HJ, Lee KS, Whangbo MH. Spin dimer analysis of the magnetic structures of Ba3Cr2O8, Ba3Mn2O8, Na4FeO4, and Ba2CoO4 with a three-dimensional network of isolated MO4 (M = Cr, Mn, Fe, Co) tetrahedra. Inorganic Chemistry. 45: 10743-9. PMID 17173431 DOI: 10.1021/ic061773c  0.304
2005 Ben Yahia H, Gaudin E, Darriet J, Banks M, Kremer RK, Villesuzanne A, Whangbo MH. Synthesis, crystal structure, magnetic properties, and electronic structure of the new ternary vanadate CuMnVO4. Inorganic Chemistry. 44: 3087-93. PMID 15847413 DOI: 10.1021/ic048244y  0.325
1997 Seo DK, Ren J, Whangbo MH, Canadell E. Electronic Band Structure Study of the Transport Properties of the Intermetallic Compounds ZrRuP and ZrRuSi. Inorganic Chemistry. 36: 6058-6063. PMID 11670240 DOI: 10.1021/Ic970148S  0.482
1997 Lee K, Seo D, Whangbo M. Electronic Band Structure Study of the Anomalous Electrical and Superconducting Properties of Hexagonal Alkali Tungsten Bronzes AxWO3(A = K, Rb, Cs) Journal of the American Chemical Society. 119: 4043-4049. DOI: 10.1021/Ja964455T  0.52
1997 Shreeve-Keyer JL, Haushalter RC, Lee YS, Li S, O'Connor CJ, Seo DK, Whangbo MH. New Layered Materials in the K-In-Ge-As System: K8In8Ge5As17and K5In5Ge5As14 Journal of Solid State Chemistry. 130: 234-249. DOI: 10.1006/Jssc.1996.7210  0.485
1997 Dhingra SS, Seo DK, Kowach GR, Kremer RK, Shreeve-Keyer JL, Haushalter RC, Whangbo MH. One-dimensional semiconducting chains of the quaternary Zintl anion in (Et4N)4[Au(Ag(1-x)Au(x))2Sn2Te9] Angewandte Chemie - International Edition in English. 36: 1087-1090. DOI: 10.1002/Anie.199710871  0.438
1997 Dhingra SS, Shreeve-Keyer JL, Haushalter RC, Kowach GR, Seo D, Whangbo M, Kremer RK. Eindimensionale halbleitende Ketten aus quaternären Zintl-Anionen in (Et4N)4[Au(Ag1-x Aux)2Sn2 Te9] Angewandte Chemie. 109: 1127-1130. DOI: 10.1002/Ange.19971091014  0.42
1996 Smith RL, Rohrer GS, Lee K, Seo D, Whangbo M. A scanning probe microscopy study of the (001) surfaces of V2O5 and V6O13 Surface Science. 367: 87-95. DOI: 10.1016/S0039-6028(96)00858-8  0.458
1996 Shreeve-Keyer JL, Haushalter RC, Seo DK, Whangbo MH. Crystal and electronic structure of a quaternary layered compound from the k-in-ge-sb system: K9in9gesb22 Journal of Solid State Chemistry. 122: 239-244. DOI: 10.1006/jssc.1996.0107  0.477
1986 Wheeler RA, Whangbo MH, Hughbanks T, Hoffmann R, Burdett JK, Albright TA. Symmetric vs. asymmetric linear M-X-M linkages in molecules, polymers, and extended networks. Journal of the American Chemical Society. 108: 2222-36. PMID 22175565 DOI: 10.1021/Ja00269A018  0.358
1982 Hughbanks T, Hoffmann R, Whangbo MH, Stewart KR, Eisenstein O, Canadell E. Electronic origin of the thermochromic effect in 2,2',5,5'-tetramethylbistibole Journal of the American Chemical Society. 104: 3876-3879. DOI: 10.1021/Ja00378A015  0.309
1980 Whangbo M, Foshee MJ, Hoffmann R. Band structures of face-sharing octahedral MX3n- chains Inorganic Chemistry. 19: 1723-1728. DOI: 10.1021/Ic50208A059  0.316
1980 Hoffmann R, Shaik S, Scott J, Whangbo M, Foshee MJ. The electronic structure of NbSe3 Journal of Solid State Chemistry. 34: 263-269. DOI: 10.1016/0022-4596(80)90230-3  0.364
1980 Whangbo M, Wolfe S. The Orbital Interaction Approach to Structural and Conformational Problems in Organic Chemistry Israel Journal of Chemistry. 20: 36-42. DOI: 10.1002/Ijch.198000050  0.427
1980 WHANGBO M, FOSHEE MJ, HOFFMANN R. ChemInform Abstract: BAND STRUCTURES OF FACE-SHARING OCTAHEDRAL MX3N- CHAINS Chemischer Informationsdienst. 11. DOI: 10.1002/Chin.198036004  0.319
1979 Cowley AH, Mitchell DJ, Whangbo M, Wolfe S. A molecular orbital study of the conformational consequences of stabilizing and destabilizing orbital interactions in hydrazine, diphosphine, and aminophosphine Journal of the American Chemical Society. 101: 5224-5231. DOI: 10.1002/Chin.197949004  0.439
1978 Whangbo M, Hoffmann R. Counterintuitive orbital mixing The Journal of Chemical Physics. 68: 5498-5500. DOI: 10.1063/1.435677  0.403
1978 Whangbo M, Hoffmann R. The band structure of the tetracyanoplatinate chain Journal of the American Chemical Society. 100: 6093-6098. DOI: 10.1021/Ja00487A020  0.311
1978 Whangbo M, Mitchell DJ, Wolfe S. Molecular orbitals from group orbitals. 6. Quantitative evaluation and nature of the stabilizing and destabilizing orbital interactions in difluoroethylenes and fluoropropenes Journal of the American Chemical Society. 100: 3698-3706. DOI: 10.1021/Ja00480A007  0.448
1978 Wolfe S, Mitchell DJ, Whangbo M. Molecular orbitals from group orbitals. 5. Role of steric effects in the perturbational molecular orbital method of conformational analysis Journal of the American Chemical Society. 100: 1936-1938. DOI: 10.1021/Ja00474A055  0.442
1978 WOLFE S, MITCHELL DJ, WHANGBO M. ChemInform Abstract: MOLECULAR ORBITALS FROM GROUP ORBITALS. 5. ROLE OF STERIC EFFECTS IN THE PERTURBATIONAL MOLECULAR ORBITAL METHOD OF CONFORMATIONAL ANALYSIS Chemischer Informationsdienst. 9. DOI: 10.1002/Chin.197827058  0.444
1977 Whangbo M, Wolfe S. Molecular orbitals from group orbitals. IV. Quantitative perturbational molecular orbital analysis of the methyl rotational barriers in (CH3)2X molecules. Effect of the fragmentation mode upon the results of the analysis Canadian Journal of Chemistry. 55: 2778-2787. DOI: 10.1139/V77-386  0.433
1977 Csizmadia IG, Theodorakopoulos G, Schlegel HB, Whangbo M, Wolfe S. The balance between electronic and nuclear energy in conformational change Canadian Journal of Chemistry. 55: 986-991. DOI: 10.1139/V77-138  0.532
1977 Bernardi F, Schlegel HB, Whangbo M, Wolfe S. A comparative quantum chemical investigation of the bonding in first and second row ylides Journal of the American Chemical Society. 99: 5633-5636. DOI: 10.1021/Ja00459A017  0.507
1977 Whangbo M, Schlegel HB, Wolfe S. Molecular orbitals from group orbitals. 3. Quantitative perturbational molecular orbital analysis of ab initio SCF-MO wave functions Journal of the American Chemical Society. 99: 1296-1304. DOI: 10.1021/Ja00447A002  0.573
1976 Whangbo M, Wolfe S. Molecular orbitals from group orbitals. II Conformational analysis of Systems with three heavy atoms. The XCH2CH2 system and the anomeric effect Canadian Journal of Chemistry. 54: 963-968. DOI: 10.1139/V76-138  0.473
1976 Whangbo M, Wolfe S. Molecular orbitals from group orbitals. I. A perturbational molecular orbital treatment of the electronic structures, shapes and conformations of AHmBHn Systems Canadian Journal of Chemistry. 54: 949-962. DOI: 10.1139/V76-137  0.445
1976 Wolfe S, Schlegel HB, Whangbo M. On the rigidity of planar tricoordinate carbon Canadian Journal of Chemistry. 54: 795-799. DOI: 10.1139/V76-114  0.525
1976 Bernardi F, Epiotis ND, Cherry W, Schlegel HB, Whangbo M, Wolfe S. A molecular orbital interpretation of the static, dynamic, and chemical properties of CH2X radicals Journal of the American Chemical Society. 98: 469-478. DOI: 10.1021/Ja00418A024  0.547
1976 BERNARDI F, EPIOTIS ND, CHERRY W, SCHLEGEL HB, WHANGBO M, WOLFE S. ChemInform Abstract: A MOLECULAR ORBITAL INTERPRETATION OF THE STATIC, DYNAMIC, AND CHEMICAL PROPERTIES OF CH2X RADICALS Chemischer Informationsdienst. 7: no-no. DOI: 10.1002/chin.197615070  0.549
1975 Whangbo M, Wolfe S, Bernardi F. A Correlation between Bond Length and Ionic Bond Order. Application to the Ylide–Ylene Problem Canadian Journal of Chemistry. 53: 3040-3043. DOI: 10.1139/V75-431  0.411
1975 Bernardi F, Csizmadia IG, Mangini A, Schlegel HB, Whangbo M, Wolfe S. Irrelevance of d-orbital conjugation. I. .alpha.-Thiocarbanion. Comparative quantum chemical study of the static and dynamic properties and proton affinities of carbanions adjacent to oxygen and to sulfur Journal of the American Chemical Society. 97: 2209-2218. DOI: 10.1021/Ja00841A036  0.538
1975 BERNARDI F, CSIZMADIA IG, MANGINI A, SCHLEGEL HB, WHANGBO M, WOLFE S. ChemInform Abstract: THE IRRELEVANCE OF D-ORBITAL CONJUGATION PART 1, THE ALPHA-THIOCARBANION, A COMPARATIVE QUANTUM CHEMICAL STUDY OF THE STATIC AND DYNAMIC PROPERTIES AND PROTON AFFINITIES OF CARBANIONS ADJACENT TO OXYGEN AND TO SULFUR Chemischer Informationsdienst. 6. DOI: 10.1002/CHIN.197526090  0.412
1975 WOLFE S, SCHLEGEL HB, WHANGBO M, BERNARDI F. ChemInform Abstract: ON THE ORIGIN OF THE BOHLMANN BANDS Chemischer Informationsdienst. 6. DOI: 10.1002/Chin.197507067  0.493
1974 Wolfe S, Schlegel HB, Whangbo M, Bernardi F. On the Origin of the Bohlmann Bands Canadian Journal of Chemistry. 52: 3787-3792. DOI: 10.1139/V74-567  0.542
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