| 臺大學術典藏 |
2022-08-09T03:50:21Z |
Band Edge Tailoring in Few-Layer Two-Dimensional Molybdenum Sulfide/Selenide Alloys
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Lin Y.-R.; Cheng W.-H.; Richter M.H.; Duchene J.S.; Peterson E.A.; Went C.M.; Al Balushi Z.Y.; Jariwala D.; Neaton J.B.; Chen L.-C.; Atwater H.A.; Lin Y.-R.; Chen L.-C.; LI-CHYONG CHEN |
| 臺大學術典藏 |
2022-05-24T06:10:53Z |
The mechanism of carbon dioxide adsorption in an alkylamine-functionalized metal-organic framework
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Planas N.;Dzubak A.L.;Poloni R.;Lin L.-C.;McManus A.;McDonald T.M.;Neaton J.B.;Long J.R.;Smit B.;Gagliardi L.; Planas N.; Dzubak A.L.; Poloni R.; Lin L.-C.; McManus A.; McDonald T.M.; Neaton J.B.; Long J.R.; Smit B.; Gagliardi L.; LI-CHIANG LIN |
| 臺大學術典藏 |
2022-05-24T06:10:52Z |
Methane storage capabilities of diamond analogues
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Haranczyk M.;Lin L.-C.;Lee K.;Martin R.L.;Neaton J.B.;Smit B.; Haranczyk M.; Lin L.-C.; Lee K.; Martin R.L.; Neaton J.B.; Smit B.; LI-CHIANG LIN |
| 臺大學術典藏 |
2022-05-24T06:10:51Z |
Design of a metal-organic framework with enhanced back bonding for separation of N2 and CH4
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Lee K.;Isley III W.C.;Dzubak A.L.;Verma P.;Stoneburner S.J.;Lin L.-C.;Howe J.D.;Bloch E.D.;Reed D.A.;Hudson M.R.;Brown C.M.;Long J.R.;Neaton J.B.;Smit B.;Cramer C.J.;Truhlar D.G.;Gagliardi L.; Lee K.; Isley III W.C.; Dzubak A.L.; Verma P.; Stoneburner S.J.; Lin L.-C.; Howe J.D.; Bloch E.D.; Reed D.A.; Hudson M.R.; Brown C.M.; Long J.R.; Neaton J.B.; Smit B.; Cramer C.J.; Truhlar D.G.; Gagliardi L.; LI-CHIANG LIN |
| 臺大學術典藏 |
2022-05-24T06:10:50Z |
Force-field development from electronic structure calculations with periodic boundary conditions: Applications to gaseous adsorption and transport in metal-organic frameworks
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Lin L.-C.;Lee K.;Gagliardi L.;Neaton J.B.;Smit B.; Lin L.-C.; Lee K.; Gagliardi L.; Neaton J.B.; Smit B.; LI-CHIANG LIN |
| 臺大學術典藏 |
2022-05-24T06:10:50Z |
Efficient determination of accurate force fields for porous materials using ab initio total energy calculations
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Kim J.;Lin L.-C.;Lee K.;Neaton J.B.;Smit B.; Kim J.; Lin L.-C.; Lee K.; Neaton J.B.; Smit B.; LI-CHIANG LIN |
| 臺大學術典藏 |
2022-05-24T06:10:49Z |
Reversible CO binding enables tunable CO/H2 and CO/N2 separations in metal-organic frameworks with exposed divalent metal cations
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Bloch E.D.;Hudson M.R.;Mason J.A.;Chavan S.;Crocell? V.;Howe J.D.;Lee K.;Dzubak A.L.;Queen W.L.;Zadrozny J.M.;Geier S.J.;Lin L.-C.;Gagliardi L.;Smit B.;Neaton J.B.;Bordiga S.;Brown C.M.;Long J.R.; Bloch E.D.; Hudson M.R.; Mason J.A.; Chavan S.; Crocell? V.; Howe J.D.; Lee K.; Dzubak A.L.; Queen W.L.; Zadrozny J.M.; Geier S.J.; Lin L.-C.; Gagliardi L.; Smit B.; Neaton J.B.; Bordiga S.; Brown C.M.; Long J.R.; LI-CHIANG LIN |
| 臺大學術典藏 |
2022-05-24T06:10:48Z |
Small-molecule adsorption in open-site metal-organic frameworks: A systematic density functional theory study for rational design
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Lee K.;Howe J.D.;Lin L.-C.;Smit B.;Neaton J.B.; Lee K.; Howe J.D.; Lin L.-C.; Smit B.; Neaton J.B.; LI-CHIANG LIN |
| 臺大學術典藏 |
2022-05-24T06:10:45Z |
Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal-Organic Frameworks
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Mercado R.;Vlaisavljevich B.;Lin L.-C.;Lee K.;Lee Y.;Mason J.A.;Xiao D.J.;Gonzalez M.I.;Kapelewski M.T.;Neaton J.B.;Smit B.; Mercado R.; Vlaisavljevich B.; Lin L.-C.; Lee K.; Lee Y.; Mason J.A.; Xiao D.J.; Gonzalez M.I.; Kapelewski M.T.; Neaton J.B.; Smit B.; LI-CHIANG LIN |
| 臺大學術典藏 |
2022-04-25T06:29:54Z |
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
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Epifanovsky E;Gilbert A.T.B;Feng X;Lee J;Mao Y;Mardirossian N;Pokhilko P;White A.F;Coons M.P;Dempwolff A.L;Gan Z;Hait D;Horn P.R;Jacobson L.D;Kaliman I;Kussmann J;Lange A.W;Lao K.U;Levine D.S;Liu J;McKenzie S.C;Morrison A.F;Nanda K.D;Plasser F;Rehn D.R;Vidal M.L;You Z.-Q;Zhu Y;Alam B;Albrecht B.J;Aldossary A;Alguire E;Andersen J.H;Athavale V;Barton D;Begam K;Behn A;Bellonzi N;Bernard Y.A;Berquist E.J;Burton H.G.A;Carreras A;Carter-Fenk K;Chakraborty R;Chien A.D;Closser K.D;Cofer-Shabica V;Dasgupta S;De Wergifosse M;Deng J;Diedenhofen M;Do H;Ehlert S;Fang P.-T;Fatehi S;Feng Q;Friedhoff T;Gayvert J;Ge Q;Gidofalvi G;Goldey M;Gomes J;Gonz?lez-Espinoza C.E;Gulania S;Gunina A.O;Hanson-Heine M.W.D;Harbach P.H.P;Hauser A;Herbst M.F;Hern?ndez Vera M;Hodecker M;Holden Z.C;Houck S;Huang X;Hui K;Huynh B.C;Ivanov M;J?sz ?;Ji H;Jiang H;Kaduk B;K?hler S;Khistyaev K;Kim J;Kis G;Klunzinger P;Koczor-Benda Z;Koh J.H;Kosenkov D;Koulias L;Kowalczyk T;Krauter C.M;Kue K;Kunitsa A;Kus T;Ladj?nszki I;Landau A;Lawler K.V;Lefrancois D;Lehtola S;Li R.R;Li Y.-P;Liang J;Liebenthal M;Lin H.-H;Lin Y.-S;Liu F;Liu K.-Y;Loipersberger M;Luenser A;Manjanath A;Manohar P;Mansoor E;Manzer S.F;Mao S.-P;Marenich A.V;Markovich T;Mason S;Maurer S.A;McLaughlin P.F;Menger M.F.S.J;Mewes J.-M;Mewes S.A;Morgante P;Mullinax J.W;Oosterbaan K.J;Paran G;Paul A.C;Paul S.K;Pavo?evi? F;Pei Z;Prager S;Proynov E.I;R?k ?;Ramos-Cordoba E;Rana B;Rask A.E;Rettig A;Richard R.M;Rob F;Rossomme E;Scheele T;Scheurer M;Schneider M;Sergueev N;Sharada S.M;Skomorowski W;Small D.W;Stein C.J;Su Y.-C;Sundstrom E.J;Tao Z;Thirman J;Tornai G.J;Tsuchimochi T;Tubman N.M;Veccham S.P;Vydrov O;Wenzel J;Witte J;Yamada A;Yao K;Yeganeh S;Yost S.R;Zech A;Zhang I.Y;Zhang X;Zhang Y;Zuev D;Aspuru-Guzik A;Bell A.T;Besley N.A;Bravaya K.B;Brooks B.R;Casanova D;Chai J.-D;Coriani S;Cramer C.J;Cserey G;Deprince A.E;III, Distasio R.A;Jr;Dreuw A;Dunietz B.D;Furlani T.R;Goddard W.A;III, Hammes-Schiffer S;Head-Gordon T;Hehre W.J;Hsu C.-P;Jagau T.-C;Jung Y;Klamt A;Kong J;Lambrecht D.S;Liang W;Mayhall N.J;McCurdy C.W;Neaton J.B;Ochsenfeld C;Parkhill J.A;Peverati R;Rassolov V.A;Shao Y;Slipchenko L.V;Stauch T;Steele R.P;Subotnik J.E;Thom A.J.W;Tkatchenko A;Truhlar D.G;Van Voorhis T;Wesolowski T.A;Whaley K.B;Woodcock H.L;III, Zimmerman P.M;Faraji S;Gill P.M.W;Head-Gordon M;Herbert J.M;Krylov A.I.; Epifanovsky E; JENG-DA CHAI et al. |
