Literature DB >> 16277369

Single-reference ab initio methods for the calculation of excited states of large molecules.

Andreas Dreuw1, Martin Head-Gordon.   

Abstract

Year:  2005        PMID： 16277369     DOI： 10.1021/cr0505627

Source DB:  PubMed          Journal:  Chem Rev        ISSN： 0009-2665            Impact factor:   60.622


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  114 in total

1.  β-Nitro-5,10,15-tritolylcorroles.

Authors:  Manuela Stefanelli; Giuseppe Pomarico; Luca Tortora; Sara Nardis; Frank R Fronczek; Gregory T McCandless; Kevin M Smith; Machima Manowong; Yuanyuan Fang; Ping Chen; Karl M Kadish; Angela Rosa; Giampaolo Ricciardi; Roberto Paolesse
Journal:  Inorg Chem       Date:  2012-06-05       Impact factor: 5.165

2.  Sign Learning Kink-based (SiLK) Quantum Monte Carlo for molecular systems.

Authors:  Xiaoyao Ma; Randall W Hall; Frank Löffler; Karol Kowalski; Kiran Bhaskaran-Nair; Mark Jarrell; Juana Moreno
Journal:  J Chem Phys       Date:  2016-01-07       Impact factor: 3.488

3.  Photoselected electron transfer pathways in DNA photolyase.

Authors:  Tatiana R Prytkova; David N Beratan; Spiros S Skourtis
Journal:  Proc Natl Acad Sci U S A       Date:  2007-01-05       Impact factor: 11.205

4.  Influence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations.

Authors:  F Santoro; V Barone; R Improta
Journal:  Proc Natl Acad Sci U S A       Date:  2007-06-01       Impact factor: 11.205

5.  First-principles simulation of amide and aromatic side chain ultraviolet spectroscopy of a cyclic dipeptide.

Authors:  Zhenyu Li; Shaul Mukamel
Journal:  J Phys Chem A       Date:  2007-10-17       Impact factor: 2.781

6.  Comment on "Excited states of DNA base pairs using long-range corrected time-dependent density functional theory".

Authors:  Michael D Sevilla
Journal:  J Phys Chem A       Date:  2009-10-15       Impact factor: 2.781

7.  Computational approaches to shed light on molecular mechanisms in biological processes.

Authors:  Giorgio Moro; Laura Bonati; Maurizio Bruschi; Ugo Cosentino; Luca De Gioia; Pier Carlo Fantucci; Alessandro Pandini; Elena Papaleo; Demetrio Pitea; Gloria A A Saracino; Giuseppe Zampella
Journal:  Theor Chem Acc       Date:  2007-05-01       Impact factor: 1.702

8.  Probing Cu(I) in homogeneous catalysis using high-energy-resolution fluorescence-detected X-ray absorption spectroscopy.

Authors:  Richard C Walroth; Jacob W H Uebler; Kyle M Lancaster
Journal:  Chem Commun (Camb)       Date:  2015-06-18       Impact factor: 6.222

9.  Benchmarking coupled cluster methods on singlet excited states of nucleobases.

Authors:  Dániel Kánnár; Péter G Szalay
Journal:  J Mol Model       Date:  2014-11-14       Impact factor: 1.810

10.  Reduced-cost linear-response CC2 method based on natural orbitals and natural auxiliary functions.

Authors:  Dávid Mester; Péter R Nagy; Mihály Kállay
Journal:  J Chem Phys       Date:  2017-05-21       Impact factor: 3.488
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