Advanced Chemical Physics Studies

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This cluster of papers represents advancements in density functional theory, including the development of dispersion correction methods, ab initio parametrization, wavefunction analyzers, and continuum solvation models. It also covers topics such as semiempirical methods, van der Waals interactions, hybrid density functionals, molecular simulations, and electronic structure calculations.

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ScholarIQindexed works

Advanced Chemical Physics Studies has 26 works in the ScholarIQ index. The count is the OpenAlex total, not the number of papers listed on this page.

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ScholarIQmost cited works

Advances in methods and algorithms in a modern quantum chemistry program package

Yihan Shao, Laszlo Fusti Molnar, Yousung Jung, Jörg Kußmann, Christian Ochsenfeld, Shawn T. Brown, Andrew T. B. Gilbert, Lyudmila V. Slipchenko, Sergey V. Levchenko, D.P. O'Neill, Robert A. DiStasio, Rohini C. Lochan, Tao Wang, Gregory J. O. Beran, Nicholas A. Besley, John M. Herbert, Ching Yeh Lin, Troy Van Voorhis, Siu Hung Chien, Alexander J. Sodt, Ryan P. Steele, Vitaly A. Rassolov, Paul E. Maslen, Prakashan Korambath, Ross D. Adamson, Brian Austin, Jon Baker, Edward F. C. Byrd, Holger Dachsel, Robert J. Doerksen, Andreas Dreuw, Barry D. Dunietz, Anthony D. Dutoi, Thomas R. Furlani, Steven R. Gwaltney, Andreas Heyden, So Hirata, Chao‐Ping Hsu, Gary S. Kedziora, Rustam Z. Khalliulin, Phil Klunzinger, Aaron M. Lee, Michael S. Lee, WanZhen Liang, Itay Lotan, Nikhil U. Nair, Baron Peters, Emil Proynov, Piotr A. Pieniazek, Young Min Rhee, Jim Ritchie, Edina Rosta, C. David Sherrill, Andrew C. Simmonett, Joseph E. Subotnik, H. Lee Woodcock, Wei-Min Zhang, Alexis T. Bell, Arup K. Chakraborty, Daniel M. Chipman, Frerich J. Keil, Arieh Warshel, Warren J. Hehre, Henry F. Schaefer, Jing Kong, Anna I. Krylov, Peter M. W. Gill, Martin Head‐Gordon

Physical Chemistry Chemical Physics. 20062,807 Citations

Q-Chem 2.0: a high-performanceab initio electronic structure program package

Jing Kong, Christopher A. White, Anna I. Krylov, C. David Sherrill, Ross D. Adamson, Thomas R. Furlani, Michael S. Lee, Aaron M. Lee, Steven R. Gwaltney, Terry Adams, Christian Ochsenfeld, Andrew T. B. Gilbert, Gary S. Kedziora, Vitaly A. Rassolov, David Maurice, Nikhil U. Nair, Yihan Shao, Nicholas A. Besley, Paul E. Maslen, Jeremy P. Dombroski, Holger Daschel, Wei-Min Zhang, Prakashan Korambath, Jon Baker, Edward F. C. Byrd, Troy Van Voorhis, Manabu Oumi, So Hirata, Chao‐Ping Hsu, Naoto Ishikawa, Jan Florián, Arieh Warshel, Benny G. Johnson, Peter M. W. Gill, Martin Head‐Gordon, John A. Pople

Journal of Computational Chemistry. 2000631 Citations

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S. Mrozowski

Physical Review. 194189 Citations

Energy band structure of beryllium and magnesium

S Chatterjee, P. Sinha

Journal of Physics F Metal Physics. 197543 CitationsOPEN ACCESS

Gas–surface energy exchange and thermal accommodation of CO2 and Ar in collisions with methyl, hydroxyl, and perfluorinated self-assembled monolayers

Jessica W. Lu, William A. Alexander, John R. Morris

Physical Chemistry Chemical Physics. 201028 Citations