Advanced Chemical Physics Studies

TopicLeading institutions, researchers & key papers

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.

Works

IDs:OpenAlex

How has Advanced Chemical Physics Studies's publication output changed over time?

ScholarIQpublication output · 1941–2022

Output grew0% over the shown period — from 1 works in 1941 to 1 in 2022.

194119751979199620002006200720102022

What are the most-cited papers on Advanced Chemical Physics Studies?

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

S181332294. 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

S21117631. 2000631 Citations

On the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi>Π</mml:mi></mml:mrow><mml:mrow><mml:mi>u</mml:mi></mml:mrow><mml:mrow/><mml:mrow/><mml:mrow/><mml:mprescripts/><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow><mml:mrow/><mml:mrow/></mml:mmultiscripts></mml:mrow><mml:mo>→</mml:mo><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi>Π</mml:mi></mml:mrow><mml:mrow><mml:mi>g</mml:mi></mml:mrow><mml:mrow/><mml:mrow/><mml:mrow/><mml:mprescripts/><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow><mml:mrow/><mml:mrow/></mml:mmultiscripts></mml:mrow></mml:math>Bands of C<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow><mml:mrow/><mml:mrow/><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:mmultiscripts></mml:mrow></mml:math>. Part I

S. Mrozowski

S54862371. 194189 Citations

Energy band structure of beryllium and magnesium

S Chatterjee, P. Sinha

S101659631. 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

S181332294. 201028 Citations