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R

Rebecca K. Carlson

university at buffalo, suny

19H指数
77论文数
4.7K被引数
收录论文 23
发表时间
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Simple Linear Regression Models for Prediction of Ionization Energies, Electron Affinities, and Fundamental Gaps of Atoms and Molecules简单线性回归模型用于预测原子和分子的电离能、电子亲和能和基本能隙
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-03-26
err0
PREAI
errCarlson, Rebecca K.
err分享
err收藏
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
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-05-22
err127
errOAAI
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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Mechanistic Study of the Production of NOx Gases from the Reaction of Copper with Nitric Acid
errINORGANIC CHEMISTRY
IF4.7
err2020-11-17
err2
PREAI
errCarlson, Rebecca K.; Yang, Ping; Clegg, Samuel M.; Batista, Enrique R.
err分享
err收藏
Tight-Binding Modeling of Uranium in an Aqueous Environment
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-04-27
err10
PREAI
errCarlson, Rebecca K.; Cawkwell, M. J.; Batista, Enrique R.; Yang, Ping
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
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err收藏
Computationally Guided Discovery of Catalytic Cobalt-Decorated Metal-Organic Framework for Ethylene Dimerization (vol 120, pg 23576, 2016)
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2017-05-10
err3
PREAI
errBernales, Varinia; League, Aaron B.; Li, Zhanyong; Schweitzer, Neil M.; Peters, Aaron W.; Carlson, Rebecca K.; Hupp, Joseph T.; Cramer, Christopher J.; Farha, Omar K.; Gagliardi, Laura
err分享
err收藏
Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems
errACCOUNTS OF CHEMICAL RESEARCH
IF17.7
err2016-12-21
err265
PREAI
errGagliardi, Laura; Truhlar, Donald G.; Li Manni, Giovanni; Carlson, Rebecca K.; Hoyer, Chad E.; Bao, Junwei Lucas
err分享
err收藏
Computationally Guided Discovery of a Catalytic Cobalt-Decorated Metal-Organic Framework for Ethylene Dimerization
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2016-10-07
err97
errOAAI
errBernales, Varinia; League, Aaron B.; Li, Zhanyong; Schweitzer, Neil M.; Peters, Aaron W.; Carlson, Rebecca K.; Hupp, Joseph T.; Cramer, Christopher J.; Farha, Omar K.; Gagliardi, Laura
err分享
err收藏
Separated-pair approximation and separated-pair pair-density functional theory
errCHEMICAL SCIENCE
IF7.4
err2016-01-01
err54
errOAAI
errOdoh, Samuel O.; Li Manni, Giovanni; Carlson, Rebecca K.; Truhlar, Donald G.; Gagliardi, Laura
err分享
err收藏
Multiconfiguration Pair-Density Functional Theory (vol 10, pg 3669, 2014)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-12-21
err5
PREAI
errLi Manni, Giovanni; Carlson, Rebecca K.; Luo, Sijie; Ma, Dongxia; Olsen, Jeppe; Truhlar, Donald G.; Gagliardi, Laura
err分享
err收藏
Multiconfiguration Pair-Density Functional Theory: Barrier Heights and Main Group and Transition Metal Energetics (vol 11, pg 82, 2015)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-12-17
err36
PREAI
errCarlson, Rebecca K.; Li Manni, Giovanni; Sonnenberger, Andrew L.; Truhlar, Donald G.; Gagliardi, Laura
err分享
err收藏
Multiconfiguration Pair-Density Functional Theory: A Fully Translated Gradient Approximation and Its Performance for Transition Metal Dimers and the Spectroscopy of Re2CI82- (vol 11, pg 4077, 2015)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-12-15
err2
PREAI
errCarlson, Rebecca K.; Truhlar, Donald G.; Gagliardi, Laura
err分享
err收藏
Heterobimetallic Complexes That Bond Vanadium to Iron, Cobalt, and Nickel
errINORGANIC CHEMISTRY
IF4.7
err2015-12-04
err51
errOAAI
errClouston, Laura J.; Bernales, Varinia; Cammarota, Ryan C.; Carlson, Rebecca K.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.
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
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err收藏
Influence of Copper Oxidation State on the Bonding and Electronic Structure of Cobalt-Copper Complexes
errINORGANIC CHEMISTRY
IF4.7
err2015-11-09
err20
errOAAI
errEisenhart, Reed J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Victor G., Jr.; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.
err分享
err收藏
Can Multiconfigurational Self-Consistent Field Theory and Density Functional Theory Correctly Predict the Ground State of Metal-Metal-Bonded Complexes?
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-08-10
err20
PREAI
errCarlson, Rebecca K.; Odoh, Samuel O.; Tereniak, Stephen J.; Lu, Connie C.; Gagliardi, Laura
err分享
err收藏
Multiconfiguration Pair-Density Functional Theory: A Fully Translated Gradient Approximation and Its Performance for Transition Metal Dimers and the Spectroscopy of Re2Cl82-
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-08-06
err125
errOAAI
errCarlson, Rebecca K.; Truhlar, Donald G.; Gagliardi, Laura
err分享
err收藏
Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping
errINORGANIC CHEMISTRY
IF4.7
err2015-07-13
err67
errOAAI
errEisenhart, Reed J.; Rudd, P. Alex; Planas, Nora; Boyce, David W.; Carlson, Rebecca K.; Tolman, William B.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.
err分享
err收藏
Bimetallic Cobalt-Dinitrogen Complexes: Impact of the Supporting Metal on N2 Activation
errINORGANIC CHEMISTRY
IF4.7
err2015-07-01
err86
PREAI
errClouston, Laura J.; Bernales, Varinia; Carlson, Rebecca K.; Gagliardi, Laura; Lu, Connie C.
err分享
err收藏
Multiconfiguration Pair-Density Functional Theory: Barrier Heights and Main Group and Transition Metal Energetics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2014-12-23
err71
PREAI
errCarlson, Rebecca K.; Li Manni, Giovanni; Sonnenberger, Andrew L.; Truhlar, Donald G.; Gagliardi, Laura
err分享
err收藏

研究方向

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