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Showing items 1-20 of 20 (1 Page(s) Totally)
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| 國立成功大學 |
2023 |
Activation of light alkanes at room temperature and ambient pressure
|
Zhang, H.;Li, C.;Liu, W.;Luo, G.;Goddard, W.A.;III;Cheng, M.-J.;Xu, B.;Lu, Q. |
| 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. |
| 臺大學術典藏 |
2020-06-11T06:17:47Z |
Suppression of surface recombination in CuInSe2 (CIS) thin films via Trioctylphosphine Sulfide (TOP:S) surface passivation
|
Luo, S.;Eisler, C.;Wong, T.-H.;Xiao, H.;Lin, C.-E.;Wu, T.-T.;Shen, C.-H.;Shieh, J.-M.;Tsai, C.-C.;Liu, C.-W.;Atwater, H.A.;Goddard, W.A.;Lee, J.-H.;Greer, J.R.; Luo, S.; Eisler, C.; Wong, T.-H.; Xiao, H.; Lin, C.-E.; Wu, T.-T.; Shen, C.-H.; Shieh, J.-M.; Tsai, C.-C.; Liu, C.-W.; Atwater, H.A.; Goddard, W.A.; Lee, J.-H.; Greer, J.R.; JIUN-HAW LEE |
| 國立成功大學 |
2019 |
Effectively Increased Efficiency for Electroreduction of Carbon Monoxide Using Supported Polycrystalline Copper Powder Electrocatalysts
|
Li, J.;Chang, K.;Zhang, H.;He, M.;Goddard, W.A.;Chen, J.G.;Cheng, M.-J.;Lu, Q. |
| 國立成功大學 |
2019 |
Csp3-Csp3 Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes
|
Paeth, M.;Tyndall, S.B.;Chen, L.-Y.;Hong, J.-C.;Carson, W.P.;Liu, X.;Sun, X.;Liu, J.;Yang, K.;Hale, E.M.;Tierney, D.L.;Liu, B.;Cao, Z.;Cheng, M.-J.;Goddard, W.A.;Liu, W. |
| 國立成功大學 |
2019 |
Mechanism and kinetics for both thermal and electrochemical reduction of N2 catalysed by Ru(0001) based on quantum mechanics
|
Chen, L.-Y.;Kuo, T.-C.;Hong, Z.-S.;Cheng, M.-J.;Goddard, W.A. |
| 臺大學術典藏 |
2018-09-10T15:33:14Z |
Suppression of surface recombination in CuInSe2 (CIS) thin films via Trioctylphosphine Sulfide (TOP:S) surface passivation
|
Eisler, C.; Wong, T.-H.; Xiao, H.; Lin, C.-E.; Wu, T.-T.; Shen, C.-H.; Shieh, J.-M.; Tsai, C.-C.; Liu, C.-W.; Atwater, H.A.; Goddard, W.A.; Lee, J.-H.; Greer, J.R.; Luo, S.; CHEE-WEE LIU et al. |
| 臺大學術典藏 |
2018-09-10T08:35:41Z |
Absolute entropy and energy of carbon dioxide using the two-phase thermodynamic model
|
Huang, S.-N.; Pascal, T.A.; Goddard, W.A.; Maiti, P.K.; Lin, S.-T.; SHIANG-TAI LIN |
| 國立成功大學 |
2017 |
Dual-phase mechanism for the catalytic conversion of n-butane to maleic anhydride by the vanadyl pyrophosphate heterogeneous catalyst
|
O'Leary, W.C.;Goddard, W.A.;III;Cheng, M.-J. |
| 國立成功大學 |
2017 |
Probing the C-O Bond-Formation Step in Metalloporphyrin-Catalyzed C-H Oxygenation Reactions
|
Liu, W.;Cheng, M.-J.;Nielsen, R.J.;Goddard, W.A.;Groves, J.T. |
| 國立臺灣大學 |
2006-12 |
Reply to comment on Application of the COSMO-SAC-BP solvation model to predictions of normal boiling temperatures for environmentally significant sunstances
|
Wang, S.; Lin, S.T.; Chang, J.; Goddard, W.A.; Sandler, S.I. |
| 國立臺灣大學 |
2005-05 |
Effect of solvent and pH on the structure of PAMAM dendrimers
|
Maiti, P.K.; Cagin, T.; Lin, S.T.; Goddard, W.A. |
| 國立臺灣大學 |
2005-05 |
Dynamics and thermodynamics of water in PAMAM dendrimers at subnanosecond time scales
|
Lin, S.T.; Maiti, P.K.; Goddard, W.A. |
| 國立臺灣大學 |
2005-05 |
Nanophase segregation and water dynamics in the dendrion diblock copolymer formed from the Frechet polyaryl ethereal den
|
Jang, S.S.; Lin, S.T.; Cagin, T.; Molinero, V.; Goddard, W.A. |
| 臺大學術典藏 |
2005-05 |
Effect of solvent and pH on the structure of PAMAM dendrimers
|
Maiti, P.K.;Cagin, T.;Lin, S.T.;Goddard, W.A.; Maiti, P.K.; Cagin, T.; Lin, S.T.; Goddard, W.A. |
| 國立臺灣大學 |
2004-05 |
Prediction of vapor pressures and enthalpies of vaporization using a COSMO solvation mode
|
Lin, S.T.; Chang, J.; Wang, S.; Goddard, W.A.; Sandler, S.I. |
| 國立臺灣大學 |
2004-05 |
Thermodynamic Stability of Zimmerman Self-Assembled Dendritic Supramolecules from Atomistic Molecular Dynamics Simulations
|
Lin, S.T.; Jang, S.S.; Cagin, T.; Goddard, W.A. |
Showing items 1-20 of 20 (1 Page(s) Totally)
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