Search

Categories

Biological and Medicinal Chemistry

(2)

Nanoscience

(1)

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(5)

Content Types

Working Paper

(5)

Published Date

Last 3 years

(5)

Last 12 months

(1)

Keywords

Regularization

Authors

5 results in Keywords: Regularization

Theoretical and Computational Chemistry

Do Double Hybrid Functionals Benefit from Regularization in the PT2 term? Observations from an Extensive Benchmark

Golokesh Santra, Jan M.L. Martin

Version 1 posted 11 March 2022

236

Downloads

Biological and Medicinal Chemistry

A General Picture of Cucurbit[8]uril Host-Guest Binding: Recalibrating Bonded Interactions

Zhaoxi Sun, Qiaole He, Zhihao Gong, Payam Kalhor, Zhe Huai, Zhirong Liu

Version 1 posted 07 October 2021

180

Downloads

Theoretical and Computational Chemistry

Regularized CASPT2: an intruder-state-free approach

Stefano Battaglia, Lina Fransén, Ignacio Fdez. Galván, Roland Lindh

Version 2 posted 28 June 2022

383

Downloads

Theoretical and Computational Chemistry

Regularized Second-Order Correlation Methods for Extended Systems

Elisabeth Keller, Theodoros Tsatsoulis, Karsten Reuter, Johannes T. Margraf

Version 1 posted 24 November 2021

266

Downloads

Biological and Medicinal Chemistry

Host Dynamics under General-Purpose Force Fields

Xiaohui Wang, Zhe Huai, Zhaoxi Sun

Version 2 posted 04 May 2023

152

Downloads

1

Citations