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Hans Lischka

texas tech university

74H指数
444论文数
2.1W被引数
收录论文 124
发表时间
Accurate Energies for ππ∗ Excited States via Exchange Scaling: the XS-CASSCF method通过交换修正获取ππ*激发态的精确能量:XS-CASSCF方法
err2026-05-14
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errOAAI
errRene F. K. Spada; Rodolpho L.R. Alves; Sayan Ghosh; Silmar A. do Monte; Lachlan Belcher; Ron L. Shepard; Hans Lischka; Felix Plasser
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Tuning Heptazine-Based g-C3N4 Structures for Photocatalysis by Enhancing Chemical Stability and Electron–Hole Pair Separation: A Computational Study
err2026-01-21
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errOAAI
errLeticia C.S. Faria; Aditya N. Raju; Julio C.V. Chagas; Adelia J.A. Aquino; Reed Nieman; Francisco B.C. Machado; Leonardo T. Ueno; Hans Lischka; Luiz F. A. Ferrão
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Aromaticity Study of Linear and Belt-like Polycyclic Aromatic Hydrocarbons线性与带状多环芳香烃的芳香性研究
err2025-11-07
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PREAI
errSalles, Guilherme A.; Magalhaes, Paulo R. C.; Carvalho, Jhonatas R.; Maximo-Canadas, Matheus; Rosa, Nathalia M. P.; Chagas, Julio C. V.; Ferrao, Luiz F. A.; Aquino, Adelia J. A.; Borges, Itamar; Machado, Francisco B. C.; Lischka, Hans
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Tuning the structure of thienoisoindigo (TIG) copolymers to afford bright near-infrared emission for bioimaging through aggregation-enhanced emission通过聚集增强发光效应调谐噻吩异吲哚酮(TIG)共聚物的结构以实现明亮的近红外发射用于生物成像
err2025-09-08
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PREAI
errRobert Posey †; Nikita Gill †; Daniel Fernandez; Luan Gabriel Fonseca Dos Santos; Helena Garza; Jacquelyn Tran; Brenda Alfaro; Nicholas Payne; Tahamida Alam Oyshi; Colin Cashman; Boris Salinas; Isabella Vasquez; Alexander Mdzinarishvili; Indrajit Srivastava; Ulrich Bickel; Hans Lischka; Joshua Tropp
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COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and DynamicsCOLUMBUS─一个用于计算基态和激发态(包括自旋-轨道耦合和动力学)的高效通用程序包
err2025-07-08
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errFelix Plasser; Hans Lischka; Ron Shepard; Péter G. Szalay; Russell M. Pitzer; Rodolpho L. R. Alves; Adelia J. A. Aquino; Jochen Autschbach; Mario Barbatti; Jhonatas R. Carvalho; Julio C. V. Chagas; Leticia González; Andreas Hansen; Bhumika Jayee; Miklos Kertesz; Francisco B. C. Machado; Spiridoula Matsika; Silmar A. do Monte; Saikat Mukherjee; Dana Nachtigallová; Reed Nieman; Vytor P. Oliveira; Markus Oppel; Carol A. Parish; Jiri Pittner; Luan G. F. dos Santos; Armin Scrinzi; Mahesh K. Sit; Rene F. K. Spada; Mushir Thodika; Daniel C. A. Valente; Álvaro Vázquez-Mayagoitia; Elizete Ventura; Julia Westermayr; Aleksandr Zaichenko; Zhiyong Zhang
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Tuning Aromaticity, Stability and Radicaloid Character of Periacenes by Chemical BN Doping
err2025-01-20
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PREAI
errdos Santos, Luan G. F.; Chagas, Julio C. V.; Ferrao, Luiz F. A.; Aquino, Adelia J. A.; Nieman, Reed; Lischka, Hans; Machado, Francisco B. C.
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Facile Access to Organostibines via Selective Organic Superbase Catalyzed Antimony-Carbon Protonolysis
err2024-06-30
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PREAI
errCulvyhouse, Jacob; Unruh, Daniel K.; Lischka, Hans; Aquino, Adelia J. A.; Krempner, Clemens
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Foreword to the special issue for Elfi Kraka
err2024-03-28
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PREAI
errAquino, Adelia J. A.; Lischka, Hans; Frenking, Gernot
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The effect of water on gold supported chiral graphene nanoribbons: rupture of conjugation by an alternating hydrogenation pattern
err2024-01-01
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errOAAI
errBerdonces-Layunta, Alejandro; Matej, Adam; Jimenez-Martin, Alejandro; Lawrence, James; Mohammed, Mohammed S. G.; Wang, Tao; Mallada, Benjamin; de la Torre, Bruno; Martinez, Adrian; Vilas-Varela, Manuel; Nieman, Reed; Lischka, Hans; Nachtigallova, Dana; Pena, Diego; Jelinek, Pavel; de Oteyza, Dimas G.
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A multi-descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π-Conjugation versus charge effects
err2023-12-28
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PREAI
errChagas, Julio C. V.; Milanez, Bruno D.; Oliveira, Vytor P.; Pinheiro Jr, Max; Ferrao, Luiz F. A.; Aquino, Adelia J. A.; Lischka, Hans; Machado, Franciso B. C.
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A Perspective on Sustainable Computational Chemistry Software Development and Integration
err2023-09-28
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errOAAI
errDi Felice, Rosa; Mayes, Maricris L.; Richard, Ryan M.; Williams-Young, David B.; Chan, Garnet Kin-Lic; de Jong, Wibe A.; Govind, Niranjan; Head-Gordon, Martin; Hermes, Matthew R.; Kowalski, Karol; Li, Xiaosong; Lischka, Hans; Mueller, Karl T.; Mutlu, Erdal; Niklasson, Anders M. N.; Pederson, Mark R.; Peng, Bo; Shepard, Ron; Valeev, Edward F.; van Schilfgaarde, Mark; Vlaisavljevich, Bess; Windus, Theresa L.; Xantheas, Sotiris S.; Zhang, Xing; Zimmerman, Paul M.
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A comprehensive analysis of charge transfer effects on donor-pyrene (bridge)-acceptor systems using different substituents
err2023-08-28
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errOAAI
errBorges Jr, Itamar; Guimaraes, Roberta M. P. O.; Monteiro-de-Castro, Gabriel; Rosa, Nathalia M. P.; Nieman, Reed; Lischka, Hans; Aquino, Adelia J. A.
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational ChemistryOpenMolcas Web: 一种社区驱动的推进计算化学的方法
err2023-05-22
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errManni, Giovanni Li; Galvan, Ignacio Fdez.; 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; Ma, Dongxia; Mai, Sebastian; Marquetand, Philipp; Merritt, Isabella C. D.; Montorsi, Francesco; Morchen, Maximilian; Nenov, Artur; Vu Ha Anh Nguyen; Nishimoto, Yoshio; Oakley, Meagan S.; Olivucci, Massimo; Oppel, Markus; Padula, Daniele; Pandharkar, Riddhish; Quan Manh Phung; 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
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A new chiral phenomenon of orientational chirality, its synthetic control and computational study
err2023-01-05
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errOAAI
errJin, Shengzhou; Xu, Ting; Tang, Yao; Wang, Jia-Yin; Wang, Yu; Pan, Junyi; Zhang, Sai; Yuan, Qingkai; Rahman, Anis Ur; Aquino, Adelia J. A.; Lischka, Hans; Li, Guigen
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