Paul C. Redfern
1996–2023 年に発表
- 28
- 論文数
- 19,615
- 被引用数
- 26
- h 指数
- 27
- i10 指数
被引用数
引用元
国・地域
機関
分野
- Chemistry22.7%
- Physics and Astronomy20.5%
- Materials Science18.2%
- Engineering11.6%
- Computer Science6.4%
- Biochemistry, Genetics and Molecular Biology5.6%
- その他15%
トピック
- Advanced Chemical Physics Studies10%
- Computational Drug Discovery Methods5%
- Machine Learning in Materials Science4.5%
- Free Radicals and Antioxidants3.8%
- Chemical Thermodynamics and Molecular Structure3.5%
- Spectroscopy and Quantum Chemical Studies3.4%
- その他69.8%
共著者
- Larry A. Curtiss27
- Krishnan Raghavachari13
- John A. Pople9
- Rajeev S. Assary6
- Jeffrey Greeley4
- Vitaly A. Rassolov4
- Badri Narayanan3
- Khalil Amine3
- Peter Zapol3
- Štefan Vajda3
- Anh T. Ngo2
- Anwar G. Baboul2
- Faisal Mehmood2
- Hsien-Hau Wang2
- Huiming Wu2
- Ian Foster2
- Jeffrey W. Elam2
- Jianguo Wen2
- Lei Yu2
- Logan Ward2
- Mark A. Ratner2
- Michael J. Pellin2
- Mohammad Asadi2
- Naveen K. Dandu2
全論文
- 6‐31G* basis set for third‐row atoms
著者: Vitaly A. Rassolov, Mark A. Ratner, John A. Pople, Paul C. Redfern, Larry A. Curtiss - Journal of Computational Chemistry 2001 被引用: 2,235
- Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing
著者: Logan T. Ward, Ganesh Sivaraman, J. Gregory Pauloski, Yadu N. Babuji, Ryan Chard, Naveen Dandu, Paul C. Redfern, Rajeev S. Assary, Kyle Chard, Larry A. Curtiss, Rajeev Thakur, Ian T. Foster - IEEE/ACM Workshop on Machine Learning in High Performance Computing Environments (MLHPC), MLHPC@SC 2021 被引用: 48
- Gaussian-4 theory
著者: Larry A. Curtiss, Paul C. Redfern, Krishnan Raghavachari - The Journal of Chemical Physics 2007 被引用: 2,092
- Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
著者: Larry A. Curtiss, Krishnan Raghavachari, Paul C. Redfern, John A. Pople - The Journal of Chemical Physics 1997 被引用: 2,134
- Gaussian-4 theory using reduced order perturbation theory
著者: Larry A. Curtiss, Paul C. Redfern, Krishnan Raghavachari - The Journal of Chemical Physics 2007 被引用: 744
- Gaussian-3 (G3) theory for molecules containing first and second-row atoms
著者: Larry A. Curtiss, Krishnan Raghavachari, Paul C. Redfern, Vitaly A. Rassolov, John A. Pople - The Journal of Chemical Physics 1998 被引用: 2,867
- Assessment of Gaussian-3 and density functional theories for a larger experimental test set
著者: Larry A. Curtiss, Krishnan Raghavachari, Paul C. Redfern, John A. Pople - The Journal of Chemical Physics 2000 被引用: 731
- Assessment of Gaussian-2 and density functional theories for the computation of ionization potentials and electron affinities
著者: Larry A. Curtiss, Paul C. Redfern, Krishnan Raghavachari, John A. Pople - The Journal of Chemical Physics 1998 被引用: 570
- Assessment of Gaussian-3 and density-functional theories on the G3/05 test set of experimental energies
著者: Larry A. Curtiss, Paul C. Redfern, Krishnan Raghavachari - The Journal of Chemical Physics 2005 被引用: 391
- A room temperature rechargeable Li 2 O-based lithium-air battery enabled by a solid electrolyte
著者: Alireza Kondori, Mohammadreza Esmaeilirad, Ahmad M. Harzandi, Rachid Amine, Mahmoud Tamadoni Saray, Lei Yu, Tongchao Liu, Jianguo Wen, Nannan Shan, Hsien‐Hau Wang, Anh T. Ngo, Paul C. Redfern, Christopher S. Johnson, Khalil Amine, Reza Shahbazian‐Yassar, Larry A. Curtiss, Mohammad Asadi - Science 2023 被引用: 249
- Graph-Based Approaches for Predicting Solvation Energy in Multiple Solvents: Open Datasets and Machine Learning Models
著者: Logan Ward, Naveen K. Dandu, Ben Blaiszik, Badri Narayanan, Rajeev S. Assary, Paul C. Redfern, Ian Foster, Larry A. Curtiss - The Journal of Physical Chemistry A 2021 被引用: 24
- Gaussian-3X (G3X) theory: Use of improved geometries, zero-point energies, and Hartree–Fock basis sets
著者: Larry A. Curtiss, Paul C. Redfern, Krishnan Raghavachari, John A. Pople - The Journal of Chemical Physics 2001 被引用: 512
- Quantum-Chemically Informed Machine Learning: Prediction of Energies of Organic Molecules with 10 to 14 Non-hydrogen Atoms
著者: Naveen K. Dandu, Logan Ward, Rajeev S. Assary, Paul C. Redfern, Badri Narayanan, Ian Foster, Larry A. Curtiss - The Journal of Physical Chemistry A 2020 被引用: 42
- Increased Silver Activity for Direct Propylene Epoxidation via Subnanometer Size Effects
著者: Lei Yu, Faisal Mehmood, Sungsik Lee, Jeffrey Greeley, Byeongdu Lee, Söenke Seifert, Randall E. Winans, Jeffrey W. Elam, Randall J. Meyer, Paul C. Redfern, D. Teschner, Robert Schlögl, Michael J. Pellin, Larry A. Curtiss, Štefan Vajda - Science 2010 被引用: 888
- Assessment of Gaussian-3 and Density Functional Theories for Enthalpies of Formation of C1−C16 Alkanes
著者: Paul C. Redfern, Peter Zapol, Larry A. Curtiss, Krishnan Raghavachari - The Journal of Physical Chemistry A 2000 被引用: 240
- Gn theory
著者: Larry A. Curtiss, Paul C. Redfern, Krishnan Raghavachari - Wiley Interdisciplinary Reviews Computational Molecular Science 2011 被引用: 219
- Gaussian-3 theory using density functional geometries and zero-point energies
著者: Anwar G. Baboul, Larry A. Curtiss, Paul C. Redfern, Krishnan Raghavachari - The Journal of Chemical Physics 1999 被引用: 1,747
- Gaussian-3 theory using reduced Mo/ller-Plesset order
著者: Larry A. Curtiss, Paul C. Redfern, Krishnan Raghavachari, Vitaly A. Rassolov, John A. Pople - The Journal of Chemical Physics 1999 被引用: 1,242
- Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane
著者: Štefan Vajda, Michael J. Pellin, Jeffrey Greeley, Christopher L. Marshall, Larry A. Curtiss, Gregory Ballentine, Jeffrey W. Elam, Stéphanie Catillon-Mucherie, Paul C. Redfern, Faisal Mehmood, Peter Zapol - Nature Materials 2009 被引用: 813
- Fluorinated electrolytes for 5 V lithium-ion battery chemistry
著者: Zhengcheng Zhang, Libo Hu, Huiming Wu, Wei Weng, Meiten Koh, Paul C. Redfern, Larry A. Curtiss, Khalil Amine - Energy & Environmental Science 2013 被引用: 577
- Gaussian-3 theory using coupled cluster energies
著者: Larry A. Curtiss, Krishnan Raghavachari, Paul C. Redfern, Anwar G. Baboul, John A. Pople - Chemical Physics Letters 1999 被引用: 237
- Gaussian-2 (G2) theory: Reduced basis set requirements
著者: Larry A. Curtiss, Paul C. Redfern, Brian J. Smith, Leo Radom - The Journal of Chemical Physics 1996 被引用: 221
- Computational Studies of Catechol and Water Interactions with Titanium Oxide Nanoparticles
著者: Paul C. Redfern, Peter Zapol, Larry A. Curtiss, Tijana Rajh, Marion C. Thurnauer - The Journal of Physical Chemistry B 2003 被引用: 217
- A Long‐Cycle‐Life Lithium–CO2 Battery with Carbon Neutrality
著者: Alireza Ahmadiparidari, Robert E. Warburton, Leily Majidi, Mohammad Asadi, Amir Chamaani, Jacob R. Jokisaari, Sina Rastegar, Zahra Hemmat, Baharak Sayahpour, Rajeev S. Assary, Badri Narayanan, Pedram Abbasi, Paul C. Redfern, Anh T. Ngo, Márton Vörös, Jeffrey Greeley, Robert F. Klie, Larry A. Curtiss, Amin Salehi‐Khojin - Advanced Materials 2019 被引用: 215
