학술논문
'학술논문'
에서 검색결과 5건 | 목록
1~10
Periodical
Li Manni, Giovanni; Fdez. Galván, Ignacio; Alavi, Ali; Aleotti, Flavia; Aquilante, Francesco; Autschbach, Jochen; Avagliano, Davide; Baiardi, Alberto; Bao, Jie J.; Battaglia, Stefano; Birnoschi, Letitia; Blanco-González, Alejandro; Bokarev, Sergey I.; Broer, Ria; Cacciari, Roberto; Calio, Paul B.; Carlson, Rebecca K.; Carvalho Couto, Rafael; Cerdán, Luis; Chibotaru, Liviu F.; Chilton, Nicholas F.; Church, Jonathan Richard; Conti, Irene; Coriani, Sonia; Cuéllar-Zuquin, Juliana; Daoud, Razan E.; Dattani, Nike; Decleva, Piero; de Graaf, Coen; Delcey, Mickaël G.; De Vico, Luca; Dobrautz, Werner; Dong, Sijia S.; Feng, Rulin; Ferré, Nicolas; Filatov(Gulak), Michael; Gagliardi, Laura; Garavelli, Marco; González, Leticia; Guan, Yafu; Guo, Meiyuan; Hennefarth, Matthew R.; Hermes, Matthew R.; Hoyer, Chad E.; Huix-Rotllant, Miquel; Jaiswal, Vishal Kumar; Kaiser, Andy; Kaliakin, Danil S.; Khamesian, Marjan; King, Daniel S.; Kochetov, Vladislav; Krośnicki, Marek; Kumaar, Arpit Arun; Larsson, Ernst D.; Lehtola, Susi; Lepetit, Marie-Bernadette; Lischka, Hans; López Ríos, Pablo; Lundberg, Marcus; Ma, Dongxia; Mai, Sebastian; Marquetand, Philipp; Merritt, Isabella C. D.; Montorsi, Francesco; Mörchen, Maximilian; Nenov, Artur; Nguyen, Vu Ha Anh; Nishimoto, Yoshio; Oakley, Meagan S.; Olivucci, Massimo; Oppel, Markus; Padula, Daniele; Pandharkar, Riddhish; Phung, Quan Manh; Plasser, Felix; Raggi, Gerardo; Rebolini, Elisa; Reiher, Markus; Rivalta, Ivan; Roca-Sanjuán, Daniel; Romig, Thies; Safari, Arta Anushirwan; Sánchez-Mansilla, Aitor; Sand, Andrew M.; Schapiro, Igor; Scott, Thais R.; Segarra-Martí, Javier; Segatta, Francesco; Sergentu, Dumitru-Claudiu; Sharma, Prachi; Shepard, Ron; Shu, Yinan; Staab, Jakob K.; Straatsma, Tjerk P.; Sørensen, Lasse Kragh; Tenorio, Bruno Nunes Cabral; Truhlar, Donald G.; Ungur, Liviu; Vacher, Morgane; Veryazov, Valera; Voß, Torben Arne; Weser, Oskar; Wu, Dihua; Yang, Xuchun; Yarkony, David; Zhou, Chen; Zobel, J. Patrick; Lindh, Roland
Journal of Chemical Theory and Computation; October 2023, Vol. 19 Issue: 20 p6933-6991, 59p
Manni, Giovanni Li; Fernández Galván, Ignacio, 1977; Alavi, Ali; Aleotti, Flavia; Aquilante, Francesco; Autschbach, Jochen; Avagliano, Davide; Baiardi, Alberto; Bao, Jie J.; Battaglia, Stefano; Birnoschi, Letitia; Blanco-Gonzalez, Alejandro; Bokarev, Sergey I.; Broer, Ria; Cacciari, Roberto; Calio, Paul B.; Carlson, Rebecca K.; Couto, Rafael Carvalho; Cerdan, Luis; Chibotaru, Liviu F.; Chilton, Nicholas F.; Church, Jonathan Richard; Conti, Irene; Coriani, Sonia; Cuellar-Zuquin, Juliana; Daoud, Razan E.; Dattani, Nike; Decleva, Piero; de Graaf, Coen; Delcey, Mickael G.; De Vico, Luca; Dobrautz, Werner; Dong, Sijia S.; Feng, Rulin; Ferre, Nicolas; Filatov (Gulak), Michael; Gagliardi, Laura; Garavelli, Marco; Gonzalez, Leticia; Guan, Yafu; Guo, Meiyuan; Hennefarth, Matthew R.; Hermes, Matthew R.; Hoyer, Chad E.; Huix-Rotllant, Miquel; Jaiswal, Vishal Kumar; Kaiser, Andy; Kaliakin, Danil S.; Khamesian, Marjan; King, Daniel S.; Kochetov, Vladislav; Krosnicki, Marek; Kumaar, Arpit Arun; Larsson, Ernst D.; Lehtola, Susi; Lepetit, Marie-Bernadette; Lischka, Hans; Rios, Pablo Lopez; Lundberg, Marcus, 1974; Ma, Dongxia; Mai, Sebastian; Marquetand, Philipp; Merritt, Isabella C. D.; Montorsi, Francesco; Morchen, Maximilian; Nenov, Artur; Nguyen, Vu Ha Anh; Nishimoto, Yoshio; Oakley, Meagan S.; Olivucci, Massimo; Oppel, Markus; Padula, Daniele; Pandharkar, Riddhish; Phung, Quan Manh; Plasser, Felix; Raggi, Gerardo; Rebolini, Elisa; Reiher, Markus; Rivalta, Ivan; Roca-Sanjuan, Daniel; Romig, Thies; Safari, Arta Anushirwan; Sanchez-Mansilla, Aitor; Sand, Andrew M.; Schapiro, Igor; Scott, Thais R.; Segarra-Marti, Javier; Segatta, Francesco; Sergentu, Dumitru-Claudiu; Sharma, Prachi; Shepard, Ron; Shu, Yinan; Staab, Jakob K.; Straatsma, Tjerk P.; Sorensen, Lasse Kragh; Tenorio, Bruno Nunes Cabral; Truhlar, Donald G.; Ungur, Liviu; Vacher, Morgane; Veryazov, Valera; Voss, Torben Arne; Weser, Oskar; Wu, Dihua; Yang, Xuchun; Yarkony, David; Zhou, Chen; Zobel, J. Patrick; Lindh, Roland, Professor, 1958
Journal of Chemical Theory and Computation. 19(20):6933-6991
Academic Journal
Li Manni, Giovanni; Fdez. Galvan, Ignacio; Alavi, Ali; Aleotti, Flavia; Aquilante, Francesco; Autschbach, Jochen; Avagliano, Davide; Baiardi, Alberto; Bao, Jie J.; Battaglia, Stefano; Birnoschi, Letitia; Blanco-Gonzalez, Alejandro; Bokarev, Sergey I.; Broer, Ria; Cacciari, Roberto; Calio, Paul B.; Carlson, Rebecca K.; Carvalho Couto, Rafael; Cerdan, Luis; Chibotaru, Liviu F.; Chilton, Nicholas F.; Church, Jonathan Richard; Conti, Irene; Coriani, Sonia; Cuellar-Zuquin, Juliana; Daoud, Razan E.; Dattani, Nike; Decleva, Piero; de Graaf, Coen; Delcey, Mickael G.; De Vico, Luca; Dobrautz, Werner; Dong, Sijia S.; Feng, Rulin; Ferre, Nicolas; Filatov(Gulak), Michael; Gagliardi, Laura; Garavelli, Marco; Gonzalez, Leticia; Guan, Yafu; Guo, Meiyuan; Hennefarth, Matthew R.; Hermes, Matthew R.; Hoyer, Chad E.; Huix-Rotllant, Miquel; Jaiswal, Vishal Kumar; Kaiser, Andy; Kaliakin, Danil S.; Khamesian, Marjan; King, Daniel S.; Kochetov, Vladislav; Krosnicki, Marek; Kumaar, Arpit Arun; Larsson, Ernst D.; Lehtola, Susi; Lepetit, Marie-Bernadette; Lischka, Hans; Lopez Rios, Pablo; Lundberg, Marcus; Ma, Dongxia; Mai, Sebastian; Marquetand, Philipp; Merritt, Isabella C. D.; Montorsi, Francesco; Morchen, Maximilian; Nenov, Artur; Nguyen, Vu Ha Anh; Nishimoto, Yoshio; Oakley, Meagan S.; Olivucci, Massimo; Oppel, Markus; Padula, Daniele; Pandharkar, Riddhish; Phung, Quan Manh; Plasser, Felix; Raggi, Gerardo; Rebolini, Elisa; Reiher, Markus; Rivalta, Ivan; Roca-Sanjuan, Daniel; Romig, Thies; Safari, Arta Anushirwan; Sanchez-Mansilla, Aitor; Sand, Andrew M.; Schapiro, Igor; Scott, Thais R.; Segarra-Marti, Javier; Segatta, Francesco; Sergentu, Dumitru-Claudiu; Sharma, Prachi; Shepard, Ron; Shu, Yinan; Staab, Jakob K.; Straatsma, Tjerk P.; Sorensen, Lasse Kragh; Tenorio, Bruno Nunes Cabral; Truhlar, Donald G.; Ungur, Liviu; Vacher, Morgane; Veryazov, Valera; Voss, Torben Arne; Weser, Oskar; Wu, Dihua; Yang, Xuchun; Yarkony, David; Zhou, Chen; Zobel, J. Patrick; Lindh, Roland
Electronic Resource
Li Manni, Giovanni; Fdez. Galván, Ignacio; Alavi, Ali; Aleotti, Flavia; Aquilante, Francesco; Autschbach, Jochen; Avagliano, Davide; Baiardi, Alberto; Bao, Jie J.; Battaglia, Stefano; Birnoschi, Letitia; Blanco-González, Alejandro; Bokarev, Sergey I.; Broer, Ria; Cacciari, Roberto; Calio, Paul B.; Carlson, Rebecca K.; Carvalho Couto, Rafael; Cerdán, Luis; Chibotaru, Liviu F.; Chilton, Nicholas F.; Church, Jonathan Richard; Conti, Irene; Coriani, Sonia; Cuéllar-Zuquin, Juliana; Daoud, Razan E.; Dattani, Nike; Decleva, Piero; de Graaf, Coen; Delcey, Mickaël G.; De Vico, Luca; Dobrautz, Werner; Dong, Sijia S.; Feng, Rulin; Ferré, Nicolas; Filatov(Gulak), Michael; Gagliardi, Laura; Garavelli, Marco; González, Leticia; Guan, Yafu; Guo, Meiyuan; Hennefarth, Matthew R.; Hermes, Matthew R.; Hoyer, Chad E.; Huix-Rotllant, Miquel; Jaiswal, Vishal Kumar; Kaiser, Andy; Kaliakin, Danil S.; Khamesian, Marjan; King, Daniel S.; Kochetov, Vladislav; Krośnicki, Marek; Kumaar, Arpit Arun; Larsson, Ernst D.; Lehtola, Susi; Lepetit, Marie Bernadette; Lischka, Hans; López Ríos, Pablo; Lundberg, Marcus; Ma, Dongxia; Mai, Sebastian; Marquetand, Philipp; Merritt, Isabella C.D.; Montorsi, Francesco; Mörchen, Maximilian; Nenov, Artur; Nguyen, Vu Ha Anh; Nishimoto, Yoshio; Oakley, Meagan S.; Olivucci, Massimo; Oppel, Markus; Padula, Daniele; Pandharkar, Riddhish; Phung, Quan Manh; Plasser, Felix; Raggi, Gerardo; Rebolini, Elisa; Reiher, Markus; Rivalta, Ivan; Roca-Sanjuán, Daniel; Romig, Thies; Safari, Arta Anushirwan; Sánchez-Mansilla, Aitor; Sand, Andrew M.; Schapiro, Igor; Scott, Thais R.; Segarra-Martí, Javier; Segatta, Francesco; Sergentu, Dumitru Claudiu; Sharma, Prachi; Shepard, Ron; Shu, Yinan; Staab, Jakob K.; Straatsma, Tjerk P.; Sørensen, Lasse Kragh; Tenorio, Bruno Nunes Cabral; Truhlar, Donald G.; Ungur, Liviu; Vacher, Morgane; Veryazov, Valera; Voß, Torben Arne; Weser, Oskar; Wu, Dihua; Yang, Xuchun; Yarkony, David; Zhou, Chen; Zobel, J. Patrick; Lindh, Roland
Li Manni , G , Fdez. Galván , I , Alavi , A , Aleotti , F , Aquilante , F , Autschbach , J , Avagliano , D , Baiardi , A , Bao , J J , Battaglia , S , Birnoschi , L , Blanco-González , A , Bokarev , S I , Broer , R , Cacciari , R , Calio , P B , Carlson , R K , Carvalho Couto , R , Cerdán , L , Chibotaru , L F , Chilton , N F , Church , J R , Conti , I , Coriani , S , Cuéllar-Zuquin , J , Daoud , R E , Dattani , N , Decleva , P , de Graaf , C , Delcey , M G , De Vico , L , Dobrautz , W , Dong , S S , Feng , R , Ferré , N , Filatov(Gulak) , M , Gagliardi , L , Garavelli , M , González , L , Guan , Y , Guo , M , Hennefarth , M R , Hermes , M R , Hoyer , C E , Huix-Rotllant , M , Jaiswal , V K , Kaiser , A , Kaliakin , D S , Khamesian , M , King , D S , Kochetov , V , Krośnicki , M , Kumaar , A A , Larsson , E D , Lehtola , S , Lepetit , M B , Lischka , H , López Ríos , P , Lundberg , M , Ma , D , Mai , S , Marquetand , P , Merritt , I C D , Montorsi , F , Mörchen , M , Nenov , A , Nguyen , V H A , Nishimoto , Y , Oakley , M S , Olivucci , M , Oppel , M , Padula , D , Pandharkar , R , Phung , Q M , Plasser , F , Raggi , G , Rebolini , E , Reiher , M , Rivalta , I , Roca-Sanjuán , D , Romig , T , Safari , A A , Sánchez-Mansilla , A , Sand , A M , Schapiro , I , Scott , T R , Segarra-Martí , J , Segatta , F , Sergentu , D C , Sharma , P , Shepard , R , Shu , Y , Staab , J K , Straatsma , T P , Sørensen , L K , Tenorio , B N C , Truhlar , D G , Ungur , L , Vacher , M , Veryazov , V , Voß , T A , Weser , O , Wu , D , Yang , X , Yarkony , D , Zhou , C , Zobel , J P & Lindh , R 2023 , ' The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry ' , Journal of Chemical Theory and Computation , vol. 19 , no. 20 , pp. 6933–6991 .
Electronic Resource
Fundación la Caixa; European Commission; Ministerio de Ciencia e Innovación (España); Department of Energy (US); Swiss National Science Foundation; Ministero dell'Istruzione, dell'Università e della Ricerca; Carl Trygger Foundation; Royal Society (UK); Independent Research Fund Denmark; German Research Foundation; Generalitat de Catalunya; Olle Engkvist Foundation; National Centre for Research and Development (Poland); National Science Foundation (US); Academy of Finland; Knut and Alice Wallenberg Foundation; Swedish Research Council; Université de Nantes; Japan Society for the Promotion of Science; Università degli Studi di Siena; Novo Nordisk Foundation; Argonne National Laboratory (US); National University of Singapore; Air Force Office of Scientific Research (US); Linköping University; Centre National de la Recherche Scientifique (France); Li Manni, Giovanni [0000-0002-3666-3880]; Fdez Galván, Ignacio [0000-0002-0684-7689]; #NODATA#; Aleotti, Flavia [0000-0002-7176-5305]; Aquilante, Francesco [0000-0003-4422-3938]; Autschbach, Jochen [0000-0001-9392-877X]; Avagliano, Davide [0000-0001-5539-9731]; Baiardi, Alberto [0000-0001-9112-8664]; Bao, Jie J. [0000-0003-0197-3405]; Battaglia, Stefano [0000-0002-5082-2681]; Blanco-González, Alejandro [0000-0001-7379-2588]; Bokarev, Sergey I. [0000-0003-0779-5013]; Broer, Ria [0000-0002-5437-9509]; Cacciari, Roberto [0000-0001-8290-4297]; Calio, Paul B. [0000-0001-8385-2628]; Carlson, Rebecca K. [0000-0002-1710-5816]; Carvalho Couto, Rafael [0000-0003-4020-0923]; Cerdán, L. [0000-0002-7174-2453]; Chibotaru, Liviu F. [0000-0003-1556-0812]; Chilton, Nicholas F. [0000-0002-8604-0171]; Church, Jonathan Richard [0000-0001-5986-1305]; Conti, Irene [0000-0001-7982-4480]; Coriani, Sonia [0000-0002-4487-897X]; Cuéllar-Zuquin, Juliana [0000-0002-0127-579X]; Daoud, Razan E. [0000-0001-7034-0770]; Dattani, Nike [0000-0001-5667-3632]; Decleva, Piero [0000-0002-7322-887X]; de Graaf, Coen [0000-0001-8114-6658]; Delcey, Mickaël G. [0000-0001-9883-3569]; De Vico, Luca [0000-0002-2821-5711]; Dobrautz, Werner [0000-0001-6479-1874]; Dong, Sijia S. [0000-0001-8182-6522]; Feng, Rulin [0000-0002-9812-3804]; Ferré, Nicolas [0000-0002-5583-8834]; Filatov Gulak, Michael [0000-0002-1541-739X]; Gagliardi, Laura [0000-0001-5227-1396]; Garavelli, Marco [0000-0002-0796-289X]; González, Leticia [0000-0001-5112-794X]; Guo, Meiyuan [0000-0003-2474-6264]; Hennefarth, Matthew R. [0000-0002-6601-2253]; Hermes, Matthew R. [0000-0001-7807-2950]; Huix-Rotllant, Miquel [0000-0002-2131-7328]; Jaiswal, Vishal Kumar [0000-0002-5090-7984]; Kaliakin, Danil S. [0000-0002-9354-8248]; King, Daniel S. [0000-0003-0208-5274]; Larsson, Ernst D. [0000-0001-7655-2993]; Lehtola, Susi [0000-0001-6296-8103]; Lepetit, Marie-Bernadette [0000-0001-8730-4282]; Lischka, Hans [0000-0002-5656-3975]; Lundberg, Marcus [0000-0002-1312-1202]; Mai, Sebastian [0000-0001-5327-8880]; Marquetand, Philipp [0000-0002-8711-1533]; Merritt, Isabella C. D. [0000-0002-7965-7798]; Nenov, Artur [0000-0003-3071-5341]; Nguyen, Vu Ha Anh [0000-0002-4177-0656]; Nishimoto, Yoshio [0000-0001-5581-4712]; Oakley, Meagan S. [0000-0001-5072-7572]; Olivucci, Massimo [0000-0002-8247-209X]; Oppel, Markus [0000-0001-6363-2310]; Padula, Daniele [0000-0002-7171-7928]; Pandharkar, Riddhish [0000-0003-4086-4308]; Phung, Quan Manh [0000-0001-8205-5328]; Plasser, Felix [0000-0003-0751-148X]; Reiher, Markus [0000-0002-9508-1565]; Rivalta, Ivan [0000-0002-1208-602X]; Roca-Sanjuán, Daniel [0000-0001-6495-2770]; Romig, Thies [0000-0002-9424-2398]; Safari, Arta Anushirwan [0000-0003-4511-8902]; Sánchez-Mansilla, Aitor [0000-0002-2601-190X]; Sand, Andrew M. [0000-0002-7166-2066]; Schapiro, Igor [0000-0001-8536-6869]; Scott, Thais R. [0000-0002-5746-5517]; Segarra-Martí, Javier [0000-0002-2076-3406]; Segatta, Francesco [0000-0003-4150-6676]; Sergentu, Dumitru-Claudiu [0000-0001-6570-5245]; Shepard, Ron [0000-0002-0272-0824]; Shu, Yinan [0000-0002-8371-0221]; Sørensen, Lasse Kragh [0000-0002-1931-1867]; Tenorio, Bruno Nunes Cabral [0000-0002-9702-998X]; Truhlar, Donald G. [0000-0002-7742-7294]; Ungur, Liviu [0000-0001-5015-4225]; Vacher, Morgane [0000-0001-9418-6579]; Veryazov, Valera [0000-0002-0172-7047]; Li Manni, Giovanni; Fdez Galván, Ignacio; Alavi, Ali; Aleotti, Flavia; Aquilante, Francesco; Autschbach, Jochen; Avagliano, Davide; Baiardi, Alberto; Bao, Jie J.; Battaglia, Stefano; Birnoschi, Letitia; Blanco-González, Alejandro; Bokarev, Sergey I.; Broer, Ria; Cacciari, Roberto; Calio, Paul B.; Carlson, Rebecca K.; Carvalho Couto, Rafael; Cerdán, L.; Chibotaru, Liviu F.; Chilton, Nicholas F.; Church, Jonathan Richard; Conti, Irene; Coriani, Sonia; Cuéllar-Zuquin, Juliana; Daoud, Razan E.; Dattani, Nike; Decleva, Piero; de Graaf, Coen; Delcey, Mickaël G.; De Vico, Luca; Dobrautz, Werner; Dong, Sijia S.; Feng, Rulin; Ferré, Nicolas; Filatov Gulak, Michael; Gagliardi, Laura; Garavelli, Marco; González, Leticia; Guan, Yafu; Guo, Meiyuan; Hennefarth, Matthew R.; Hermes, Matthew R.; Hoyer, Chad E.; Huix-Rotllant, Miquel; Jaiswal, Vishal Kumar; Kaiser, Andy; Kaliakin, Danil S.; Khamesian, Marjan; King, Daniel S.; Kochetov, Vladislav; Krośnicki, Marek; Kumaar, Arpit Arun; Larsson, Ernst D.; Lehtola, Susi; Lepetit, Marie-Bernadette; Lischka, Hans; López Ríos, Pablo; Lundberg, Marcus; Ma, Dongxia; Mai, Sebastian; Marquetand, Philipp; Merritt, Isabella C. D.; Montorsi, Francesco; Mörchen, Maximilian; Nenov, Artur; Nguyen, Vu Ha Anh; Nishimoto, Yoshio; Oakley, Meagan S.; Olivucci, Massimo; Oppel, Markus; Padula, Daniele; Pandharkar, Riddhish; Phung, Quan Manh; Plasser, Felix; Raggi, Gerardo; Rebolini, Elisa; Reiher, Markus; Rivalta, Ivan; Roca-Sanjuán, Daniel; Romig, Thies; Safari, Arta Anushirwan; Sánchez-Mansilla, Aitor; Sand, Andrew M.; Schapiro, Igor; Scott, Thais R.; Segarra-Martí, Javier; Segatta, Francesco; Sergentu, Dumitru-Claudiu; Sharma, Prachi; Shepard, Ron; Shu, Yinan; Staab, Jakob K.; Straatsma, Tjerk P.; Sørensen, Lasse Kragh; Tenorio, Bruno Nunes Cabral; Truhlar, Donald G.; Ungur, Liviu; Vacher, Morgane; Veryazov, Valera; Voß, Torben Arne; Weser, Oskar; Wu, Dihua; Yang, Xuchun; Yarkony, David; Zhou, Chen; Zobel, J Patrick; Lindh, Roland
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[AR] Church, Jonathan Richard
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