| 臺大學術典藏 |
2022-05-24T06:10:48Z |
Adsorption thermodynamics and intrinsic activation parameters for monomolecular cracking of n-alkanes on br?nsted acid sites in zeolites
|
Janda A.;Vlaisavljevich B.;Lin L.-C.;Mallikarjun Sharada S.;Smit B.;Head-Gordon M.;Bell A.T.; Janda A.; Vlaisavljevich B.; Lin L.-C.; Mallikarjun Sharada S.; Smit B.; Head-Gordon M.; Bell A.T.; LI-CHIANG LIN |
| 臺大學術典藏 |
2022-05-24T06:10:45Z |
Effects of Zeolite Structural Confinement on Adsorption Thermodynamics and Reaction Kinetics for Monomolecular Cracking and Dehydrogenation of n-Butane
|
Janda A.;Vlaisavljevich B.;Lin L.-C.;Smit B.;Bell A.T.; Janda A.; Vlaisavljevich B.; Lin L.-C.; Smit B.; Bell A.T.; LI-CHIANG LIN |
| 臺大學術典藏 |
2022-05-24T06:10:42Z |
Effects of pore and cage topology on the thermodynamics of n-alkane adsorption at Br?nsted protons in zeolites at high temperature
|
Janda A.;Vlaisavljevich B.;Smit B.;Lin L.-C.;Bell A.T.; Janda A.; Vlaisavljevich B.; Smit B.; Lin L.-C.; Bell A.T.; LI-CHIANG LIN |
| 臺大學術典藏 |
2022-05-24T06:10:42Z |
Theoretical Analysis of the Influence of Pore Geometry on Monomolecular Cracking and Dehydrogenation of n-Butane in Br?nsted Acidic Zeolites
|
Van Der Mynsbrugge J.;Janda A.;Mallikarjun Sharada S.;Lin L.-C.;Van Speybroeck V.;Head-Gordon M.;Bell A.T.; Van Der Mynsbrugge J.; Janda A.; Mallikarjun Sharada S.; Lin L.-C.; Van Speybroeck V.; Head-Gordon M.; Bell A.T.; LI-CHIANG LIN |
| 臺大學術典藏 |
2022-05-24T06:10:41Z |
Understanding Br?nsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory
|
Van der Mynsbrugge J.;Janda A.;Lin L.-C.;Van Speybroeck V.;Head-Gordon M.;Bell A.T.; Van der Mynsbrugge J.; Janda A.; Lin L.-C.; Van Speybroeck V.; Head-Gordon M.; Bell A.T.; LI-CHIANG LIN |
| 臺大學術典藏 |
2022-05-24T06:10:40Z |
Understanding Br?nsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory
|
Van der Mynsbrugge J.;Janda A.;Lin L.-C.;Van Speybroeck V.;Head-Gordon M.;Bell A.T.; Van der Mynsbrugge J.; Janda A.; Lin L.-C.; Van Speybroeck V.; Head-Gordon M.; Bell A.T.; LI-CHIANG LIN |
| 臺大學術典藏 |
2022-05-24T06:10:39Z |
Atomistic Investigations of the Effects of Si/Al Ratio and Al Distribution on the Adsorption Selectivity of n-Alkanes in Br?nsted-Acid Zeolites
|
Yang C.-T.;Janda A.;Bell A.T.;Lin L.-C.; Yang C.-T.; Janda A.; Bell A.T.; Lin L.-C.; LI-CHIANG LIN |
| 臺大學術典藏 |
2022-05-24T06:10:36Z |
Response to “Impact of Zeolite Structure on Entropic–Enthalpic Contributions to Alkane Monomolecular Cracking: An IR Operando Study”
|
Janda A.;Lin L.-C.;Vlaisavljevich B.;Van der Mynsbrugge J.;Bell A.T.; Janda A.; Lin L.-C.; Vlaisavljevich B.; Van der Mynsbrugge J.; Bell A.T.; 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
|
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. |
| 臺大學術典藏 |
2022-03-22T08:30:06Z |
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
|
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.; Li Y.-P; YI-PEI LI et al. |
| 臺大學術典藏 |
2022-03-22T08:30:05Z |
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
|
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.; Li Y.-P; YI-PEI LI et al. |
| 臺大學術典藏 |
2022-03-22T08:27:09Z |
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
|
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.; Li Y.-P; YI-PEI LI et al. |
| 國立成功大學 |
2022 |
The 2022 solar fuels roadmap
|
Segev, G.;Kibsgaard, J.;Hahn, C.;Xu, Z.J.;Cheng, W.-H.;Deutsch, T.G.;Xiang, C.;Zhang, J.Z.;Hammarstr�m, L.;Nocera, D.G.;Weber, A.Z.;Agbo, P.;Hisatomi, T.;Osterloh, F.E.;Domen, K.;Abdi, F.F.;Haussener, S.;Miller, D.J.;Ardo, S.;McIntyre, P.C.;Hannappel, T.;Hu, S.;Atwater, H.;Gregoire, J.M.;Ertem, M.Z.;Sharp, I.D.;Choi, K.-S.;Lee, J.S.;Ishitani, O.;Ager, J.W.;Prabhakar, R.R.;Bell, A.T.;Boettcher, S.W.;Vincent, K.;Takanabe, K.;Artero, V.;Napier, R.;Cuenya, B.R.;Koper, M.T.M.;Van, De Krol R.;Houle, F. |
