logo
科言猫学术研究的AI总结
language
手机端手机端
  • Phone Feature微信小程序
简体中文简体中文
notice消息通知
博客博客
delete
arrow
返回
P

Per‐Åke Malmqvist

lund university

49H指数
91论文数
2.4W被引数
收录论文 22
发表时间
logo
Modern quantum chemistry with [Open]Molcas现代量子化学与 [开] Molcas
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-06-05
err355
errOAAI
errAquilante, Francesco; Autschbach, Jochen; Baiardi, Alberto; Battaglia, Stefano; Borin, Veniamin A.; Chibotaru, Liviu F.; Conti, Irene; De Vico, Luca; Delcey, Mickael; Galvan, Ignacio Fdez.; Ferre, Nicolas; Freitag, Leon; Garavelli, Marco; Gong, Xuejun; Knecht, Stefan; Larsson, Ernst D.; Lindh, Roland; Lundberg, Marcus; Malmqvist, Per Ake; Nenov, Artur; Norell, Jesper; Odelius, Michael; Olivucci, Massimo; Pedersen, Thomas B.; Pedraza-Gonzalez, Laura; Phung, Quan M.; Pierloot, Kristine; Reiher, Markus; Schapiro, Igor; Segarra-Marti, Javier; Segatta, Francesco; Seijo, Luis; Sen, Saumik; Sergentu, Dumitru-Claudiu; Stein, Christopher J.; Ungur, Liviu; Vacher, Morgane; Valentini, Alessio; Veryazov, Valera
err分享
err收藏
Non-radiative decay and fragmentation in water molecules after 1a1-14a1 excitation and core ionization studied by electron-energy-resolved electron-ion coincidence spectroscopy
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-02-18
err3
errOAAI
errSankari, Anna; Strahlman, Christian; Sankari, Rami; Partanen, Leena; Laksman, Joakim; Kettunen, J. Antti; Galvan, Ignacio Fdez.; Lindh, Roland; Malmqvist, Per-Ake; Sorensen, Stacey L.
err分享
err收藏
OpenMolcas: From Source Code to Insight
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-09-11
err806
errOAAI
errGalvan, Ignacio Fdez; Vacher, Morgane; Alavi, Ali; Angeli, Celestino; Aquilante, Francesco; Autschbach, Jochen; Bao, Jie J.; Bokarev, Sergey I.; Bogdanov, Nikolay A.; Carlson, Rebecca K.; Chibotaru, Liviu F.; Creutzberg, Joel; Dattani, Nike; Delcey, Mickael G.; Dong, Sijia S.; Dreuw, Andreas; Freitag, Leon; Manuel Frutos, Luis; Gagliardi, Laura; Gendron, Frederic; Giussani, Angelo; Gonzalez, Leticia; Grell, Gilbert; Guo, Meiyuan; Hoyer, Chad E.; Johansson, Marcus; Keller, Sebastian; Knecht, Stefan; Kovacevic, Goran; Kallman, Erik; Li Manni, Giovanni; Lundberg, Marcus; Ma, Yingjin; Mai, Sebastian; Malhado, Joao Pedro; Malmqvist, Per Ake; Marquetand, Philipp; Mewes, Stefanie A.; Norell, Jesper; Olivucci, Massimo; Oppel, Markus; Quan Manh Phung; Pierloot, Kristine; Plasser, Felix; Reiher, Markus; Sand, Andrew M.; Schapiro, Igor; Sharma, Prachi; Stein, Christopher J.; Sorensen, Lasse Kragh; Truhlar, Donald G.; Ugandi, Mihkel; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Weser, Oskar; Wesolowski, Tomasz A.; Widmark, Per-Olof; Wouters, Sebastian; Zech, Alexander; Zobel, J. Patrick; Lindh, Roland
err分享
err收藏
Potential Energy Surface of the Chromium Dimer Re-re-revisited with Multiconfigurational Perturbation Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2016-03-10
err54
PREAI
errVancoillie, Steven; Malmqvist, Per Ake; Veryazov, Valera
err分享
err收藏
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic tableMolcas 8: 跨周期表的多构型量子化学计算的新功能
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2015-11-12
err1.3K
errOAAI
errAquilante, Francesco; Autschbach, Jochen; Carlson, Rebecca K.; Chibotaru, Liviu F.; Delcey, Mickael G.; De Vico, Luca; Galvan, Ignacio Fdez; Ferre, Nicolas; Frutos, Luis Manuel; Gagliardi, Laura; Garavelli, Marco; Giussani, Angelo; Hoyer, Chad E.; Li Manni, Giovanni; Lischka, Hans; Ma, Dongxia; Malmqvist, Per Ake; Mueller, Thomas; Nenov, Artur; Olivucci, Massimo; Pedersen, Thomas Bondo; Peng, Daoling; Plasser, Felix; Pritchard, Ben; Reiher, Markus; Rivalta, Ivan; Schapiro, Igor; Segarra-Marti, Javier; Stenrup, Michael; Truhlar, Donald G.; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Vysotskiy, Victor P.; Weingart, Oliver; Zapata, Felipe; Lindh, Roland
err分享
err收藏
Superior Photoprotective Motifs and Mechanisms in Eumelanins Uncovered
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2014-08-11
err95
errOAAI
errCorani, Alice; Huijser, Annemarie; Gustavsson, Thomas; Markovitsi, Dimitra; Malmqvist, Per-Ake; Pezzella, Alessandro; d'Ischia, Marco; Sundstrom, Villy
err分享
err收藏
Parallelization of a multiconfigurational perturbation theory
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2013-06-07
err37
PREAI
errVancoillie, Steven; Delcey, Mickael G.; Lindh, Roland; Vysotskiy, Victor; Malmqvist, Per-Ake; Veryazov, Valera
err分享
err收藏
Infrared Spectra and Quantum Chemical Calculations of the Uranium Carbide Molecules UC and CUC with Triple Bonds
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2010-05-26
err51
PREAI
errWang, Xuefeng; Andrews, Lester; Malmqvist, Per-Ake; Roos, Bjorn O.; Goncalves, Antonio P.; Pereira, Claudia C. L.; Marcalo, Joaquim; Godart, Claude; Villeroy, Benjamin
err分享
err收藏
Software News and Update MOLCAS 7: The Next Generation
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2009-06-04
err1.5K
PREAI
errAquilante, Francesco; De Vico, Luca; Ferre, Nicolas; Ghigo, Giovanni; Malmqvist, Per-Ake; Neogrady, Pavel; Pedersen, Thomas Bondo; Pitonak, Michal; Reiher, Markus; Roos, Bjorn O.; Serrano-Andres, Luis; Urban, Miroslav; Veryazov, Valera; Lindh, Roland
err分享
err收藏
Electric multipole moment fluctuations in polar liquids
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-03-31
err14
errOAAI
errStenhammar, Joakim; Linse, Per; Malmqvist, Per-Ake; Karlstrom, Gunnar
err分享
err收藏
The restricted active space followed by second-order perturbation theory method:: Theory and application to the study of CuO2 and Cu2O2 systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2008-05-30
err471
errOAAI
errMalmqvist, Per Ake; Pierloot, Kristine; Shahi, Abdul Rehaman Moughal; Cramer, Christopher J.; Gagliardi, Laura
err分享
err收藏
Cholesky decomposition-based multiconfiguration second-order perturbation theory (CD-CASPT2):: Application to the spin-state energetics of CoIII(diiminato)(NPh)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2008-04-16
err346
PREAI
errAquilante, Francesco; Malmqvist, Per-Ake; Pedersen, Thomas Bondo; Ghosh, Abhik; Roos, Bjoern Olof
err分享
err收藏
Ab initio characterization of C5
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-10-18
err30
errOAAI
errMasso, H.; Veryazov, V.; Malmqvist, P.-A.; Roos, B. O.; Senent, M. L.
err分享
err收藏
Infrared spectrum and bonding in uranium methylidene dihydride, CH2=UH2
errINORGANIC CHEMISTRY
IF4.7
err2007-05-08
err67
PREAI
errLyon, Jonathan T.; Andrews, Lester; Malmqvist, Per-Ake; Roos, Bjorn O.; Yang, Tianxiao; Bursten, Bruce E.
err分享
err收藏
Exploring the actinide-actinide bond:: Theoretical studies of the chemical bond in Ac2, Th2, Pa2, and U2
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2006-12-06
err173
errOAAI
errRoos, Bjorn O.; Malmqvist, Per-Ake; Gagliardi, Laura
err分享
err收藏
Spin-orbit ab initio study of alkyl halide dissociation via electronic curve crossing
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2004-09-22
err54
PREAI
errAjitha, D; Wierzbowska, M; Lindh, R; Malmqvist, PA
err分享
err收藏
MOLCAS:: a program package for computational chemistry
errCOMPUTATIONAL MATERIALS SCIENCE
IF3.3
err2003-10-01
err1.7K
PREAI
errKarlström, G; Lindh, R; Malmqvist, PÅ; Roos, BO; Ryde, U; Veryazov, V; Widmark, PO; Cossi, M; Schimmelpfennig, B; Neogrady, P; Seijo, L
err分享
err收藏
Relativistic and correlated calculations on the ground and excited states of ThO
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2003-07-08
err65
PREAI
errPaulovic, J; Nakajima, T; Hirao, K; Lindh, R; Malmqvist, PÅ
err分享
err收藏
A linear response approach to second-order electronic transition intensities for multiconfigurational self-consistent field wave functions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2002-07-15
err1
PREAI
errStålring, J; Bernhardsson, A; Malmqvist, PÅ
err分享
err收藏
Theoretical characterization of the lowest-energy absorption band of pyrrole
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2002-05-01
err115
errOAAI
errRoos, BO; Malmqvist, PÅ; Molina, V; Serrano-Andrés, L; Merchán, M
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
D
Donald G. Truhlar
H 指数: 187 · 论文数: 1.9K
C
Christopher J. Cramer
H 指数: 110 · 论文数: 864
L
Laura Gagliardi
H 指数: 97 · 论文数: 1.1K
V
Villy Sundström
H 指数: 95 · 论文数: 445
J
Jochen Autschbach
H 指数: 84 · 论文数: 868
查看更多