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The first valence states of the SO+ ion: Rotational analysis of the A2Πi-X2Πr and b4Σ−-a4Πi transitions. Comparison of experimental and ab initio calculated molecular parametersD. Cossart; H. Lavendy; J.M. Robbe · 1983
Ab initio quantum mechanical modeling of infrared vibrational frequencies of the OH group in dioctahedral phyllosilicates. Part I: Methods, results and comparison to experimental dataMartínez-Alonso, Sara; Rustad, James R.; Goetz, Alexander F.H. · American Mineralogist · 2002
Crystallographic and ab initio theoretical studies of (2R,3R)-1-methyl-5-oxo-2-phenyltetrahydro-1H-pyrrole-3-carboxylic acid. The comparison of chiral (I) and racemic (II) structureJan K. Maurin; Zbigniew Czarnocki; Krystyna Wojtasiewicz; Ewa Maleszewska; Katarzyna Magdziak; Beata Paluchowska · 2002
Rayleigh depolarization ratios and molecular polarizability anisotropies of BX3 (X=F, Cl, Br, I). Comparison of experimental results and ab initio calculationsRoland I Keir; Geoffrey L.D Ritchie · 1998
Experimental and Theoretical Vibrational Studies of Covalent X-N3 Azides (X = H, F, Cl, Br, I). Application of the Density Functional Theory and Comparison with ab Initio ResultsSchulz, Axel; Tornieporth-Oetting, Inis C.; Klapoetke, Thomas M. · Inorganic Chemistry · 1995
Experimental determination of phenol (CH[sub 3]F)[sub 1] complex binding energies in the S[sub 0], S[sub 1], and I[sub 0] states and comparison with ab initio calculationsLongarte, Asier; Fernández, José A.; Unamuno, Iñigo; Basterrechea, Francisco; Castaño, Fernando · The Journal of Chemical Physics · 2001
Ab Initio MO Study of the CO2 Insertion into the Cu(I)-R Bond (R = H, CH3, or OH). Comparison between the CO2 Insertion and the C2H4 InsertionSakaki, Shigeyoshi; Musashi, Yasuo · Inorganic Chemistry · 1995
Ab initio investigation of the O–Y (Y = CH3, H) insertion/HI elimination reactions of CH2I–I with CH3OH and H2O: comparison of methanol and water catalyzed reactionsXufeng Lin; Cunyuan Zhao; David Lee Phillips · 2004
Ordering and multiple phase transitions in ultrathin nickelate superlatticesPuggioni, Danilo; Filippetti, Alessio; Fiorentini, Vincenzo · Physical Review B · 2012
Jahn-Teller stabilization of magnetic and orbital ordering in rocksalt CuOPeralta, Giovanni; Puggioni, Danilo; Filippetti, Alessio; Fiorentini, Vincenzo · Physical Review B · 2009
Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing ApplicationsBelviso, Florian; Claerbout, Victor E. P.; Comas-Vives, Aleix; Dalal, Naresh S.; Fan, Feng-Ren; Filippetti, Alessio; Fiorentini, Vincenzo; Foppa, Lucas; Franchini, Cesare; Geisler, Benjamin; Ghiringhelli, Luca M.; Groß, Axel; Hu, Shunbo; Íñiguez, Jorge; Kauwe, Steven Kaai; Musfeldt, Janice L.; Nicolini, Paolo; Pentcheva, Rossitza; Polcar, Tomas; Ren, Wei; Ricci, Fabio; Ricci, Francesco; Sen, Huseyin Sener; Skelton, Jonathan Michael; Sparks, Taylor D.; Stroppa, Alessandro; Urru, Andrea; Vandichel, Matthias; Vavassori, Paolo; Wu, Hua; Yang, Ke; Zhao, Hong Jian; Puggioni, Danilo; Cortese, Remedios; Cammarata, Antonio · Inorganic Chemistry · 2019
Phonon frequencies of goldSingh, Natthi; Prakash, Satya · Physical Review B · 1974
Graphene nanoribbons subject to gentle bendsKoskinen, P. · Physical Review B · 2012
Topological p-n junctionWang, Jing; Chen, Xi; Zhu, Bang-Fen; Zhang, Shou-Cheng · Physical Review B · 2012
Nonlocal feedback in ferromagnetic resonanceBose, Thomas; Trimper, Steffen · Physical Review B · 2012
Dissipationless phonon Hall viscosityBarkeshli, Maissam; Chung, Suk Bum; Qi, Xiao-Liang · Physical Review B · 2012
Surface states of topological insulatorsZhang, Fan; Kane, C. L.; Mele, E. J. · Physical Review B · 2012
Graphene hyperlens for terahertz radiationAndryieuski, Andrei; Lavrinenko, Andrei V.; Chigrin, Dmitry N. · Physical Review B · 2012
Persistent current induced by quantum lightKibis, O. V. · Physical Review B · 2012