Works by Schaefer, Henry F.

Results: 204

NHC-Stabilized Triorganozincates: Syntheses, Structures, and Transformation to Abnormal Carbene-Zinc Complexes.

Published in:

Angewandte Chemie, 2012, v. 124, n. 40, p. 10320, doi. 10.1002/ange.201204712

By:

Wang, Yuzhong;
Xie, Yaoming;
Abraham, Mariham Y.;
Gilliard, Robert J.;
Wei, Pingrong;
Campana, Charles F.;
Schaefer, Henry F.;
Schleyer, Paul von R.;
Robinson, Gregory H.

Publication type:

Article

The Inherent Competition between Addition and Substitution Reactions of Br2 with Benzene and Arenes.

Published in:

Angewandte Chemie, 2011, v. 123, n. 30, p. 6941, doi. 10.1002/ange.201101852

By:

Kong, Jing;
Galabov, Boris;
Koleva, Gergana;
Zou, Ji-Jun;
Schaefer, Henry F.;
Schleyer, Paul von Ragué

Publication type:

Article

Aromaticity: The Alternating C—C Bond Length Structures of [14]-, [18]-, and [22]AnnuleneThis work was supported by National Science Foundation Grant CHE-0209857. The authors thank N. L. Allinger, C. D. Stevenson, N. Handy, G. Robinson, M. Kertesz, S. Shaik, W. Allen, H. Rzepa, S. Grimme, C. Musgrave, and A. T. Balaban for helpful discussions.

Published in:

Angewandte Chemie, 2004, v. 116, n. 32, p. 4296, doi. 10.1002/ange.200454188

By:

Chaitanya S. Wannere;
Kurt W. Sattelmeyer;
Henry F. Schaefer;
Paul von Ragué Schleyer

Publication type:

Article

Butterfly, Vinylidene‐Like, Monobridged and Trans Structures of Si2H2+: Comparison to the Well‐Characterized Neutral Si2H2.

Published in:

Israel Journal of Chemistry, 2023, v. 63, n. 7/8, p. 1, doi. 10.1002/ijch.202300033

By:

Schueller, Kailyn M.;
Mull, Henry F.;
Turney, Justin T.;
Schaefer, Henry F.

Publication type:

Article

New Structural Features in Tetranuclear Iron Carbonyl Thiocarbonyls: Exotriangular Iron Atoms and Six-Electron-Donating Thiocarbonyl Groups Bridging Four Iron Atoms.

Published in:

European Journal of Inorganic Chemistry, 2012, v. 2012, n. 7, p. 1104, doi. 10.1002/ejic.201100942

By:

Zhang, Zhong;
Li, Qian-shu;
King, R. Bruce;
Schaefer, Henry F.

Publication type:

Article

Edge-Bridging and Face-Bridging Hydrogen Atoms in Trinuclear Rhenium Carbonyl Hydrides.

Published in:

European Journal of Inorganic Chemistry, 2011, v. 2011, n. 29, p. 4626, doi. 10.1002/ejic.201100476

By:

Li, Nan;
Xie, Yaoming;
King, R. Bruce;
Schaefer, Henry F.

Publication type:

Article

Binuclear Pentalene Iron Carbonyl Complexes.

Published in:

European Journal of Inorganic Chemistry, 2011, v. 2011, n. 17, p. 2746, doi. 10.1002/ejic.201100155

By:

Li, Huidong;
Feng, Hao;
Sun, Weiguo;
Xie, Yaoming;
King, R. Bruce;
Schaefer, Henry F.

Publication type:

Article

The Binuclear Cyclopentadienylvanadium Carbonyls (η5-C5H5)2V2(CO)7 and (η5-C5H5)2V2(CO)6: Comparison with Homoleptic Chromium Carbonyls.

Published in:

European Journal of Inorganic Chemistry, 2007, v. 2007, n. 11, p. 1599

By:

Xiuhui Zhang;
Qian-shu Li;
Yaoming Xie;
R. Bruce King;
Henry F. Schaefer III

Publication type:

Article

Germanium(II) Dithiolene Complexes.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 65, p. 1, doi. 10.1002/chem.202302258

By:

Tran, Phuong M.;
Wang, Yuzhong;
Lahm, Mitchell E.;
Wei, Pingrong;
Molnar, Christopher J.;
Schaefer, Henry F.;
Robinson, Gregory H.

Publication type:

Article

Cover Feature: Contrasting the Mechanism of H2 Activation by Monomeric and Potassium‐Stabilized Dimeric AlI Complexes: Do Potassium Atoms Exert any Cooperative Effect? (Chem. Eur. J. 69/2021).

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 69, p. 17267, doi. 10.1002/chem.202104120

By:

Villegas‐Escobar, Nery;
Toro‐Labbé, Alejandro;
Schaefer, Henry F.

Publication type:

Article

Contrasting the Mechanism of H2 Activation by Monomeric and Potassium‐Stabilized Dimeric AlI Complexes: Do Potassium Atoms Exert any Cooperative Effect?

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 69, p. 17369, doi. 10.1002/chem.202103082

By:

Villegas‐Escobar, Nery;
Toro‐Labbé, Alejandro;
Schaefer, Henry F.

Publication type:

Article

Group 15 and 16 Nitrene‐Like Pnictinidenes.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 58, p. 14461, doi. 10.1002/chem.202101832

By:

Mitchell, Erica C.;
Wolf, Mark E.;
Turney, Justin M.;
Schaefer, Henry F.

Publication type:

Article

Carbene‐Stabilized Dithiolene (L0) Zwitterions.

Published in:

Angewandte Chemie, 2021, v. 133, n. 42, p. 22888, doi. 10.1002/ange.202108498

By:

Wang, Yuzhong;
Tran, Phuong M.;
Xie, Yaoming;
Wei, Pingrong;
Glushka, John N.;
Schaefer, Henry F.;
Robinson, Gregory H.

Publication type:

Article

Carbene‐Stabilized Disilicon as a Silicon‐Transfer Agent: Synthesis of a Dianionic Silicon Tris(dithiolene) Complex.

Published in:

Angewandte Chemie, 2020, v. 132, n. 23, p. 8949, doi. 10.1002/ange.201916395

By:

Wang, Yuzhong;
Tope, Cynthia A.;
Xie, Yaoming;
Wei, Pingrong;
Urbauer, Jeffrey L.;
Schaefer, Henry F.;
Robinson, Gregory H.

Publication type:

Article

Berichtigung: An Experimentally Established Key Intermediate in Benzene Nitration with Mixed Acid.

Published in:

Angewandte Chemie, 2020, v. 132, n. 21, p. 8062, doi. 10.1002/ange.202002293

By:

Koleva, Gergana;
Galabov, Boris;
Hadjieva, Boriana;
Schaefer, Henry F.;
R. Schleyer, Paul

Publication type:

Article

From 'Parasitic' Association Reactions toward the Stoichiometry Controlled Gas Phase Synthesis of Nanoparticles: A Theoretically Driven Challenge for Experimentalists.

Published in:

Chemical Record, 2002, v. 2, n. 5, p. 319, doi. 10.1002/tcr.10037

By:

Timoshkin, Alexey Y.;
Schaefer, Henry F.

Publication type:

Article

Electron attachment to DNA single strands: gas phase and aqueous solution.

Published in:

Nucleic Acids Research, 2007, v. 35, n. 15, p. 5165

By:

Gu, Jiande;
Xie, Yaoming;
Schaefer, Henry F.

Publication type:

Article

Isomer‐dependent reaction mechanisms of cyclic ether intermediates: cis‐2,3‐dimethyloxirane and trans‐2,3‐dimethyloxirane.

Published in:

International Journal of Chemical Kinetics, 2021, v. 53, n. 1, p. 127, doi. 10.1002/kin.21429

By:

Doner, Anna C.;
Davis, Matthew M.;
Koritzke, Alanna L.;
Christianson, Matthew G.;
Turney, Justin M.;
Schaefer, Henry F.;
Sheps, Leonid;
Osborn, David L.;
Taatjes, Craig A.;
Rotavera, Brandon

Publication type:

Article

Reaction mechanisms of a cyclic ether intermediate: Ethyloxirane.

Published in:

International Journal of Chemical Kinetics, 2021, v. 53, n. 1, p. 43, doi. 10.1002/kin.21423

By:

Christianson, Matthew G.;
Doner, Anna C.;
Davis, Matthew M.;
Koritzke, Alanna L.;
Turney, Justin M.;
Schaefer, Henry F.;
Sheps, Leonid;
Osborn, David L.;
Taatjes, Craig A.;
Rotavera, Brandon

Publication type:

Article

Structure-reactivity relationships for aromatic molecules: electrostatic potentials at nuclei and electrophile affinity indices.

Published in:

WIREs: Computational Molecular Science, 2013, v. 3, n. 1, p. 37, doi. 10.1002/wcms.1112

By:

Galabov, Boris;
Ilieva, Sonia;
Koleva, Gergana;
Allen, Wesley D.;
Schaefer III, Henry F.;
von R. Schleyer, Paul

Publication type:

Article

Psi4: an open-source ab initio electronic structure program.

Published in:

WIREs: Computational Molecular Science, 2012, v. 2, n. 4, p. 556, doi. 10.1002/wcms.93

By:

Turney, Justin M.;
Simmonett, Andrew C.;
Parrish, Robert M.;
Hohenstein, Edward G.;
Evangelista, Francesco A.;
Fermann, Justin T.;
Mintz, Benjamin J.;
Burns, Lori A.;
Wilke, Jeremiah J.;
Abrams, Micah L.;
Russ, Nicholas J.;
Leininger, Matthew L.;
Janssen, Curtis L.;
Seidl, Edward T.;
Allen, Wesley D.;
Schaefer, Henry F.;
King, Rollin A.;
Valeev, Edward F.;
Sherrill, C. David;
Crawford, T. Daniel

Publication type:

Article

High electron affinities of bicyclo[ n , n , 0]perfluoroalkanes.

Published in:

Molecular Physics, 2006, v. 104, n. 8, p. 1311, doi. 10.1080/00268970500525911

By:

Paul, Ankan;
Schleyer, Paul R.;
Schaefer III, Henry F.

Publication type:

Article

Octacarbonyldivanadium: a highly unsaturated binuclear metal carbonyl.

Published in:

Molecular Physics, 2006, v. 104, n. 5-7, p. 763, doi. 10.1080/00268970500417275

By:

Qian-Shu Li;
Zhaohui Liu;
Yaoming Xie;
Schaefer, Henry F.;
King, R. Bruce

Publication type:

Article

Novel bromine oxyfluorides: structures, thermochemistry and electron affinities of BrOF n /BrO ( n ?=?1–5).

Published in:

Molecular Physics, 2005, v. 103, n. 15/16, p. 1995, doi. 10.1080/00268970500130225

By:

Liangfa Gong;
Qianshu Li;
Yaoming Xie;
Schaefer, Henry F.

Publication type:

Article

Editorial.

Published in:

2004

By:

Schaefer III, Henry F.

Publication type:

Editorial

Structures, thermochemistry, vibrational frequencies and integrated infrared intensities of SF 5 CF 3 and SF 5 , with implications for global temperature patterns.

Published in:

Molecular Physics, 2004, v. 102, n. 13, p. 1415, doi. 10.1080/00268970410001713263

By:

Wenguo Xu;
Cuiling Xiao;
Qianshu Li;
Yaoming Xie;
Schaefer, Henry F.

Publication type:

Article

The germanium clusters Ge n ( n = 1-6) and their anions: structures, thermochemistry and electron affinities.

Published in:

Molecular Physics, 2004, v. 102, n. 6, p. 579, doi. 10.1080/00268970410001672755

By:

Wenguo Xu;
Yi Zhao;
Qianshu Li;
Yaoming Xie;
Schaefer III, Henry F.

Publication type:

Article

The thymine radicals and their respective anions: molecular structures and electron affinities.

Published in:

Molecular Physics, 2003, v. 101, n. 22, p. 3277, doi. 10.1080/00268970310001624993

By:

Profeta, Luisa T.M.;
Larkin, Joseph D.;
Schaefer III, Henry F.

Publication type:

Article

Characterization of the &Xtilde; 1 Σ + , Ã 3 Π and Ã 1 Π electronic states of BBO.

Published in:

Molecular Physics, 2003, v. 101, n. 9, p. 1273, doi. 10.1080/0026897031000075615

By:

Yamaguchi, Yukio;
Sari, Levent;
Wesolowski, Steven S.;
Sattelmeyer, Kurt W.;
Schaefer III, Henry F.

Publication type:

Article

Electron affinities of the dibromine oxides: Br2On (n=0-4).

Published in:

Molecular Physics, 2003, v. 101, n. 1/2, p. 211, doi. 10.1080/0026897021000026845

By:

Chaeho Pak;
Yaoming Xie;
Schaefer III., Henry F.

Publication type:

Article

An analysis of the conformers of 1,5-hexadiene.

Published in:

Molecular Physics, 2002, v. 100, n. 4, p. 441, doi. 10.1080/00268970110081412

By:

Rocque, Brandon G.;
Gonzales, Jason M.;
Schaefer III, Henry F.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 55, doi. 10.1080/00268970110088875

By:

Schaefer III, Henry F.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 75, doi. 10.1080/00268970110088910

By:

Schaefer III, Henry F.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 165, doi. 10.1080/00268970110089045

By:

Schaefer III, Henry F.

Publication type:

Article

Structures, thermochemistry, and electron affinities of the disilicon fluorides, Si[sub 2]F[sub n]/Si[sub 2]F[sub n][sup -] (n = 1-6).

Published in:

Molecular Physics, 2001, v. 99, n. 12, p. 1053, doi. 10.1080/00268970110042811

By:

Li, Guoliang;
Li, Qianshu;
Xu, Wenguo;
Xie, Yaoming;
Schaefer III, Henry F.

Publication type:

Article

Electron affinities of cyano-substituted ethylenes.

Published in:

Molecular Physics, 2001, v. 99, n. 8, p. 663, doi. 10.1080/00268970010028818

By:

Brinkmann, Nicole R.;
Rienstra-Kiracofe, Jonathan C.;
Schaefer III, Henry F.

Publication type:

Article

The not-so-peculiar case of calcium oxide: a weakness in atomic natural orbital basis sets for calcium.

Published in:

Molecular Physics, 2000, v. 98, n. 16, p. 1227, doi. 10.1080/00268970050080582

By:

Wesolowski, Steven S.;
Valeev, Edward F.;
King, Rollin A.;
Baranovski, Victor;
Schaefer III, Henry F.

Publication type:

Article

The puzzling infrared spectra of the nitric oxide dimer radical cation: a systematic application of Brueckner methods.

Published in:

Molecular Physics, 2000, v. 98, n. 14, p. 955, doi. 10.1080/00268970050032800

By:

Xie, Yaoming;
Schaefer III, Henry F.

Publication type:

Article

Electron affinities of the bromine oxides BrO[sub n] , [sup n] = 1-4.

Published in:

Molecular Physics, 2000, v. 98, n. 13, doi. 10.1080/00268970050025493

By:

Wang, Yan;
Fu, Xiao-Yuan;
Liu, Ruo-Zhuang;
Xie, Yaoming;
Schaefer Iii, Henry F.

Publication type:

Article

Excited electronic states of carbon disulphide.

Published in:

Molecular Physics, 1999, v. 96, n. 4, p. 693, doi. 10.1080/00268979909483005

By:

Brown, Shawn T.;
Huis, Timothy J. Van;
Hoffman, Brian C.;
Schaefer III, Henry F.

Publication type:

Article

Subtle basis set effects on hydrogen bonded systems.

Published in:

Molecular Physics, 1999, v. 96, n. 4, p. 493, doi. 10.1080/00268979909482986

By:

Tschumper, Gregory S.;
Kelty, Matthew D.;
Schaefer III, Henry F.

Publication type:

Article

Medium ring compounds and their anions: a systematic density functional theory study.

Published in:

Molecular Physics, 1998, v. 94, n. 5, p. 767, doi. 10.1080/002689798167610

By:

Rienstra-Kiracofe, Jonathan C.;
Graham, Debrah E.;
Schaefer, Henry F.

Publication type:

Article

The elementary reaction of quartet methylidyne (CH) with methane.

Published in:

Molecular Physics, 1996, v. 89, n. 6, p. 1695, doi. 10.1080/00268979609482567

By:

Kellogg, Charles B.;
Valeev, Edward;
Galbraith, John Morrison;
Fowler, Joseph E.;
Schaefer Iii, Henry F.

Publication type:

Article

The monochlorine fluorides (ClFn) and their anions (ClFn-) n = 1-7: structures and energetics.

Published in:

Molecular Physics, 1996, v. 89, n. 2, p. 607, doi. 10.1080/002689796173949

By:

Huis, Timothy J. Van;
Galbraith, John Morrison;
Schaefer Iii, Henry F.

Publication type:

Article

The electron affinity of CF3.

Published in:

Molecular Physics, 1996, v. 88, n. 3, p. 727, doi. 10.1080/00268979609482450

By:

Miller, Deanna M.;
Allen, Wesley D.;
Schaefer III, Henry F.

Publication type:

Article

Dioxirane vibrational frequencies: an unsettling relationship between theory and experiment.

Published in:

Molecular Physics, 1996, v. 88, n. 1, p. 93, doi. 10.1080/00268979650026613

By:

Kraka, Elfi;
Cremer, Dieter;
Kim, Seung-Joon;
Schaefer III, Henry F.

Publication type:

Article

Singlet-triplet splitting of carbohydroxycarbene.

Published in:

Molecular Physics, 1996, v. 87, n. 2, p. 389, doi. 10.1080/00268979650027513

By:

Xie, Yaoming;
Schaefer III, Henry F.

Publication type:

Article

Spectroscopic constants and potential energy surfaces for the possible interstellar molecules A1NC and A1CN.

Published in:

Molecular Physics, 1995, v. 86, n. 6, p. 1331, doi. 10.1080/00268979500102771

By:

Ma, Buyong;
Yamaguchi, Yukio;
Schaefer, Henry F.

Publication type:

Article

The synchronous thermal decomposition mechanism of azoisopropane.

Published in:

Molecular Physics, 1995, v. 85, n. 4, p. 769, doi. 10.1080/00268979500101471

By:

Hu, Ching-Han;
Ma, Buyong;
Schaefer, Henry F.

Publication type:

Article

Chromium dihydride (CrH 2 ): theoretical evidence for a bent B 2 ground state.

Published in:

Molecular Physics, 1995, v. 84, n. 6, p. 1109, doi. 10.1080/00268979500100781

By:

Deleeuw, Bradley J.;
Yamaguchi, Yukio;
Schaefer, Henry F.

Publication type:

Article