Jochen Autschbach

Citeras av

	Alla	Sedan 2020
Citat	28546	12156
h-index	89	50
i10-index	366	268

2500

1250

625

1875

20032004200520062007200820092010201120122013201420152016201720182019202020212022202320242025134 223 219 453 576 527 738 753 964 1120 1101 1200 1295 1640 1480 1820 1847 2079 2471 2371 2460 2422 349

Offentlig åtkomst

Visa alla

168 artiklar

31 artiklar

tillgänglig

inte tillgänglig

Enligt krav från finansiärer

Medförfattare

Jeanne CrassousDirector of Research, CNRS, University of RennesVerifierad e-postadress på univ-rennes1.fr
Dumitru-Claudiu SergentuScientific Research Asistant, Alexandru Ioan Cuza University of IasiVerifierad e-postadress på uaic.ro
Eva ZurekProfessor Department of ChemistryVerifierad e-postadress på buffalo.edu
Fréréric GendronCEAVerifierad e-postadress på cea.fr
Lucas Colucci DucatiProfessor do Instituto de Química, Universidade de São PauloVerifierad e-postadress på iq.usp.br
Boris Le GuennicInstitut des Sciences Chimiques de RennesVerifierad e-postadress på univ-rennes1.fr
Lasse JensenProfessor of Chemistry, Penn StateVerifierad e-postadress på chem.psu.edu
shaohui zhengProfessor, Southwest UniversityVerifierad e-postadress på swu.edu.cn
Huw M L DaviesEmory UniversityVerifierad e-postadress på Emory.edu
Niri GovindPhysicist, Pacific Northwest National LaboratoryVerifierad e-postadress på pnnl.gov
George C. SchatzNorthwestern UniversityVerifierad e-postadress på northwestern.edu
Hélène BolvinCNRS-Université Toulouse 3Verifierad e-postadress på irsamc.ups-tlse.fr
Robert SchurkoProfessor of Chemistry, Florida State UniversityVerifierad e-postadress på fsu.edu
Robert Gian Surbella IIIPacific Northwest National LaboratoryVerifierad e-postadress på pnnl.gov
Serguei PatchkovskiiVerifierad e-postadress på mbi-berlin.de
kais dhbaibiAssociate Professor, ILV, UVSQVerifierad e-postadress på uvsq.fr
Markus ReiherProfessor of Theoretical Chemistry, ETH ZurichVerifierad e-postadress på phys.chem.ethz.ch
Christopher L. CahillThe George Washington UniversityVerifierad e-postadress på gwu.edu
Luis EchegoyenUniversity of Texas at El PasoVerifierad e-postadress på utep.edu
Haitao SunProfessor in East China Normal UniversityVerifierad e-postadress på phy.ecnu.edu.cn

Följ

Jochen Autschbach

Professor of Chemistry, University at Buffalo, State University of New York

Verifierad e-postadress på buffalo.edu - Startsida

Computational Chemistry Theoretical Chemistry Quantum Theory of Molecules


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras av	År
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ... Journal of computational chemistry 37 (5), 506-541, 2016	1610	2016
OpenMolcas: From source code to insight I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 15 (11), 5925-5964, 2019	869*	2019
NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020	868*	2020
Amsterdam Density Functional (ADF) EJ Baerends, J Autschbach, A Bérces, FM Bickelhaupt, C Bo, PL de Boeij, ... Theoretical Chemistry, Vrije University, Amsterdam, 2007	865*	2007
Chiroptical properties from time-dependent density functional theory. I. Circular dichroism spectra of organic molecules J Autschbach, T Ziegler, SJA van Gisbergen, EJ Baerends The Journal of chemical physics 116 (16), 6930-6940, 2002	486	2002
Theoretical methods of potential use for studies of inorganic reaction mechanisms T Ziegler, J Autschbach Chemical reviews 105 (6), 2695-2722, 2005	442	2005
Modern quantum chemistry with [Open] Molcas F Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ... The Journal of chemical physics 152 (21), 2020	409	2020
ADF2017, SCM, theoretical chemistry EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ... Vrije Universiteit, 2017	392	2017
Computing chiroptical properties with first‐principles theoretical methods: background and illustrative examples J Autschbach Chirality: The Pharmacological, Biological, and Chemical Consequences of …, 2009	358	2009
Perspective: relativistic effects J Autschbach The Journal of chemical physics 136 (15), 2012	336	2012
Nuclear spin–spin coupling constants from regular approximate relativistic density functional calculations. I. Formalism and scalar relativistic results for heavy metal compounds J Autschbach, T Ziegler The Journal of Chemical Physics 113 (3), 936-947, 2000	319	2000
Quasiparticle Spectra from a Nonempirical Optimally Tuned Range-Separated Hybrid Density Functional S Refaely-Abramson, S Sharifzadeh, N Govind, J Autschbach, JB Neaton, ... Physical review letters 109 (22), 226405, 2012	316	2012
Delocalization error and “functional tuning” in Kohn–Sham calculations of molecular properties J Autschbach, M Srebro Accounts of chemical research 47 (8), 2592-2602, 2014	300	2014
Nuclear spin–spin coupling constants from regular approximate relativistic density functional calculations. II. Spin–orbit coupling effects and anisotropies J Autschbach, T Ziegler The Journal of Chemical Physics 113 (21), 9410-9418, 2000	262	2000
Charge‐Transfer Excitations and Time‐Dependent Density Functional Theory: Problems and Some Proposed Solutions J Autschbach ChemPhysChem 10 (11), 1757-1760, 2009	259	2009
Theory and method for calculating resonance Raman scattering from resonance polarizability derivatives L Jensen, LL Zhao, J Autschbach, GC Schatz The Journal of chemical physics 123 (17), 2005	240	2005
Direct spectroscopic characterization of a transitory dirhodium donor-acceptor carbene complex KP Kornecki, JF Briones, V Boyarskikh, F Fullilove, J Autschbach, ... Science 342 (6156), 351-354, 2013	214	2013
Computational study on the selectivity of donor/acceptor-substituted rhodium carbenoids J Hansen, J Autschbach, HML Davies The Journal of Organic Chemistry 74 (17), 6555-6563, 2009	209	2009
Chiroptical properties from time-dependent density functional theory. II. Optical rotations of small to medium sized organic molecules J Autschbach, S Patchkovskii, T Ziegler, SJA van Gisbergen, ... The Journal of chemical physics 117 (2), 581-592, 2002	203	2002
Finite lifetime effects on the polarizability within time-dependent density-functional theory L Jensen, J Autschbach, GC Schatz The Journal of chemical physics 122 (22), 2005	201	2005

Systemet kan inte utföra åtgärden just nu. Försök igen senare.

Artiklar 1–20

Citat per år

Dubblettcitat

Sammanfogade citat

Lägg till medförfattareMedförfattare

Följ

Citeras av

Medförfattare