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1.
Structure of [18]Annulene Revisited: Challenges for Computing Benzenoid Systems.
J Phys Chem A
; 128(6): 1098-1108, 2024 Feb 15.
Article
in English
| MEDLINE | ID: mdl-38306465
2.
Reduced Scaling Real-Time Coupled Cluster Theory.
J Phys Chem A
; 127(40): 8486-8499, 2023 Oct 12.
Article
in English
| MEDLINE | ID: mdl-37782945
3.
Challenges in the Use of Quantum Computing Hardware-Efficient Ansätze in Electronic Structure Theory.
J Phys Chem A
; 127(15): 3437-3448, 2023 Apr 20.
Article
in English
| MEDLINE | ID: mdl-37040444
4.
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science.
Phys Chem Chem Phys
; 24(47): 28700-28781, 2022 Dec 07.
Article
in English
| MEDLINE | ID: mdl-36269074
5.
Modeling Complex Solvent Effects on the Optical Rotation of Chiral Molecules: A Combined Molecular Dynamics and Density Functional Theory Study.
J Phys Chem A
; 125(15): 3095-3108, 2021 Apr 22.
Article
in English
| MEDLINE | ID: mdl-33829790
6.
Structure Elucidation and Confirmation of Phloroglucinols from the Roots of Garcinia dauphinensis by Comparison of Experimental and Calculated ECD Spectra and Specific Rotations.
J Nat Prod
; 84(4): 1163-1174, 2021 04 23.
Article
in English
| MEDLINE | ID: mdl-33823109
7.
Machine-Learning Coupled Cluster Properties through a Density Tensor Representation.
J Phys Chem A
; 124(23): 4861-4871, 2020 Jun 11.
Article
in English
| MEDLINE | ID: mdl-32412756
8.
Theory and implementation of a novel stochastic approach to coupled cluster.
J Chem Phys
; 153(14): 144117, 2020 Oct 14.
Article
in English
| MEDLINE | ID: mdl-33086816
9.
Psi4 1.4: Open-source software for high-throughput quantum chemistry.
J Chem Phys
; 152(18): 184108, 2020 May 14.
Article
in English
| MEDLINE | ID: mdl-32414239
10.
Basis Set Superposition Errors in the Many-Body Expansion of Molecular Properties.
J Phys Chem A
; 123(20): 4500-4511, 2019 May 23.
Article
in English
| MEDLINE | ID: mdl-31058506
11.
50 and 100 Years Ago in The Journal of Physical Chemistryâ2024 Edition.
J Phys Chem A
; 128(9): 1551-1554, 2024 Mar 07.
Article
in English
| MEDLINE | ID: mdl-38449433
12.
2023: A Year in Review.
J Phys Chem A
; 128(1): 1-2, 2024 Jan 11.
Article
in English
| MEDLINE | ID: mdl-38204409
13.
Phloroglucinols from the Roots of Garcinia dauphinensis and Their Antiproliferative and Antiplasmodial Activities.
J Nat Prod
; 82(3): 431-439, 2019 03 22.
Article
in English
| MEDLINE | ID: mdl-30354100
14.
Calculating Optical Rotatory Dispersion Spectra in Solution Using a Smooth Dielectric Model.
J Phys Chem A
; 122(43): 8557-8564, 2018 Nov 01.
Article
in English
| MEDLINE | ID: mdl-30296087
15.
A Review of 2022 and a Look at 2023.
J Phys Chem A
; 127(1): 1-2, 2023 01 12.
Article
in English
| MEDLINE | ID: mdl-36632722
16.
50 and 100 Years Ago in The Journal of Physical Chemistry 2023.
J Phys Chem A
; 127(9): 2061-2064, 2023 Mar 09.
Article
in English
| MEDLINE | ID: mdl-36891676
17.
MQM 2022: The 10th Triennial Conference on Molecular Quantum Mechanics.
J Phys Chem A
; 127(23): 4897-4900, 2023 Jun 15.
Article
in English
| MEDLINE | ID: mdl-37317531
18.
Performance of Property-Optimized Basis Sets for Optical Rotation with Coupled Cluster Theory.
J Phys Chem A
; 122(28): 5962-5969, 2018 Jul 19.
Article
in English
| MEDLINE | ID: mdl-29923720
19.
Early-Career and Emerging Researchers in Physical Chemistry Volume 2.
J Phys Chem A
; 127(43): 8967-8970, 2023 Nov 02.
Article
in English
| MEDLINE | ID: mdl-37915218
20.
Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science.
J Chem Phys
; 149(18): 180901, 2018 Nov 14.
Article
in English
| MEDLINE | ID: mdl-30441927