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Scopus Author ID: 14016520900
ResearcherID: A-5898-2009

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Works (30)

An Overall Furnace Model for the Silicomanganese Process

JOM
2021-09-26 | Journal article
DOI: 10.1007/s11837-021-04791-y
Contributors: Manuel Sparta; Vetle Kjær Risinggård; Kristian Etienne Einarsrud; Svenn Anton Halvorsen
Source: check_circle
Crossref

Metamodeling of the Electrical Conditions in Submerged Arc Furnaces

Metallurgical and Materials Transactions B
2021-06 | Journal article
DOI: 10.1007/s11663-021-02089-7
Part of ISSN: 1073-5615
Part of ISSN: 1543-1916
Contributors: Manuel Sparta; Damiano Varagnolo; Kristian Stråbø; Svenn Anton Halvorsen; Egil Vålandsmyr Herland; Harald Martens
Source: Self-asserted source
Manuel Sparta

Skin and Proximity Effects in Electrodes and Furnace Shells

Metallurgical and Materials Transactions B
2019-12 | Journal article
DOI: 10.1007/s11663-019-01651-8
Contributors: Egil Vålandsmyr Herland; Manuel Sparta; Svenn Anton Halvorsen
Source: check_circle
Crossref

Multilevel Approaches within the Local Pair Natural Orbital Framework

Journal of Chemical Theory and Computation
2017 | Journal article
DOI: 10.1021/acs.jctc.7b00260
WOSUID:

WOS:000405535600011
Contributors: Sparta, Manuel; Retegan, Marius; Pinski, Peter; Riplinger, Christoph; Becker, Ute; Neese, Frank
Source: Self-asserted source
Manuel Sparta via ResearcherID

Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework

Journal of Chemical Theory and Computation
2016 | Journal article
DOI: 10.1021/acs.jctc.6b00523
WOSUID:

WOS:000385336300006
Contributors: Schneider, Wolfgang B.; Bistoni, Giovanni; Sparta, Manuel; Saitow, Masaaki; Riplinger, Christoph; Auer, Alexander A.; Neese, Frank
Source: Self-asserted source
Manuel Sparta via ResearcherID

Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory

Journal of Chemical Theory and Computation
2015 | Journal article
DOI: 10.1021/ct501129s
WOSUID:

WOS:000353176500020
Contributors: Liakos, Dimitrios G.; Sparta, Manuel; Kesharwani, Manoj K.; Martin, Jan M. L.; Neese, Frank
Source: Self-asserted source
Manuel Sparta via ResearcherID

Chemical applications carried out by local pair natural orbital based coupled-cluster methods

Chemical Society Reviews
2014 | Journal article
DOI: 10.1039/c4cs00050a
WOSUID:

WOS:000338235500010
Contributors: Sparta, Manuel; Neese, Frank
Source: Self-asserted source
Manuel Sparta via ResearcherID

Mechanism of Olefin Asymmetric Hydrogenation Catalyzed by Iridium Phosphino-Oxazoline: A Pair Natural Orbital Coupled Cluster Study

Journal of Chemical Theory and Computation
2014 | Journal article
DOI: 10.1021/ct400917j
WOSUID:

WOS:000332913500021
Contributors: Sparta, Manuel; Riplinger, Christoph; Neese, Frank
Source: Self-asserted source
Manuel Sparta via ResearcherID

Accurate metal-ligand bond energies in the (2)-C2H4 and (2)-C-60 complexes of Pt(PH3)(2), with application to their Bis(triphenylphosphine) analogues

Molecular Physics
2013 | Journal article
DOI: 10.1080/00268976.2013.809489
WOSUID:

WOS:000323409600052
Contributors: Sparta, Manuel; Jensen, Vidar R.; Borve, Knut J.
Source: Self-asserted source
Manuel Sparta via ResearcherID

IR, Raman and SERS spectra of propantheline bromide.

2013 | Journal article
DOI:

10.1016/j.saa.2012.10.070
Source: Self-asserted source
Manuel Sparta via ResearcherID

Metal-Dependent Activity of Fe and Ni Acireductone Dioxygenases: How Two Electrons Reroute the Catalytic Pathway

Journal of Molecular Biology
2013 | Journal article
DOI: 10.1016/j.jmb.2013.05.001
WOSUID:

WOS:000323094000013
Contributors: Sparta, Manuel; Valdez, Crystal E.; Alexandrova, Anastassia N.
Source: Self-asserted source
Manuel Sparta via ResearcherID

The Role of the Flexible L43-S54 Protein Loop in the CcrA Metallo-beta-lactamase in Binding Structurally Dissimilar beta-Lactam Antibiotics

2013 | Journal article
DOI:

10.1021/ct300712j
Source: Self-asserted source
Manuel Sparta via ResearcherID

B13+: A Photodriven Molecular Wankel Engine

2012 | Journal article
DOI:

10.1002/anie.201202674
Source: Self-asserted source
Manuel Sparta via ResearcherID
grade
Preferred source (of 2)‎

How Metal Substitution Affects the Enzymatic Activity of Catechol-O-Methyltransferase

PLoS ONE
2012 | Journal article
DOI:

10.1371/journal.pone.0047172
Source: Self-asserted source
Manuel Sparta via Scopus - Elsevier
grade
Preferred source (of 2)‎

Hybrid Dynamics Simulation Engine for Metalloproteins

2012 | Journal article
DOI:

10.1016/j.bpj.2012.06.024
Source: Self-asserted source
Manuel Sparta via ResearcherID
grade
Preferred source (of 2)‎

Accurate multimode vibrational calculations using a B-spline basis: theory, tests and application to dioxirane and diazirinone

2011 | Journal article
DOI:

10.1080/00268976.2010.547522

Part of ISSN:

0026-8976
Source: Self-asserted source
Manuel Sparta via ResearcherID
grade
Preferred source (of 2)‎

Computational design and characterisation of artificial enzymes for Kemp elimination

Molecular Simulation
2011 | Journal article
DOI:

10.1080/08927022.2011.565760
Source: Self-asserted source
Manuel Sparta via Scopus - Elsevier
grade
Preferred source (of 2)‎

Vibrational coupled cluster response theory: A general implementation

2011 | Journal article
DOI:

10.1063/1.3536499

Part of ISSN:

0021-9606
Source: Self-asserted source
Manuel Sparta via ResearcherID
grade
Preferred source (of 3)‎

Vibrational spectroscopy of hydrogen-bonded systems: Six-dimensional simulation of the IR spectrum of F -(H 2O) complex

Chemical Physics Letters
2011 | Journal article
DOI:

10.1016/j.cplett.2011.05.008
Source: Self-asserted source
Manuel Sparta via Scopus - Elsevier
grade
Preferred source (of 2)‎

New Formulation and Implementation of Vibrational Self-Consistent Field Theory

2010 | Journal article
DOI:

10.1021/ct9004454
Source: Self-asserted source
Manuel Sparta via ResearcherID
grade
Preferred source (of 2)‎

Using Electronic Energy Derivative Information in Automated Potential Energy Surface Construction for Vibrational Calculations

2010 | Journal article
DOI:

10.1021/ct100229f

Part of ISSN:

1549-9618
Source: Self-asserted source
Manuel Sparta via ResearcherID
grade
Preferred source (of 2)‎

An adaptive density-guided approach for the generation of potential energy surfaces of polyatomic molecules

2009 | Journal article
DOI:

10.1007/s00214-009-0532-1

Part of ISSN:

1432-881X
Source: Self-asserted source
Manuel Sparta via ResearcherID
grade
Preferred source (of 2)‎

Potential Energy Surfaces for Vibrational Structure Calculations from a Multiresolution Adaptive Density-Guided Approach: Implementation and Test Calculations

2009-07-30 | Journal article
DOI:

10.1021/jp9035315
Source: Self-asserted source
Manuel Sparta
grade
Preferred source (of 3)‎

Activity of rhodium-catalyzed hydroformylation: Added insight and predictions from theory

Journal of the American Chemical Society
2007 | Journal article
DOI:

10.1021/ja070395n
Source: Self-asserted source
Manuel Sparta via Scopus - Elsevier
grade
Preferred source (of 2)‎

A priori complete active space self consistent field localized orbitals: An application on linear polyenes

Molecular Physics
2006 | Journal article
DOI:

10.1080/00268970500417903
Source: Self-asserted source
Manuel Sparta via Scopus - Elsevier
grade
Preferred source (of 2)‎

Structure and stability of networked metallofullerenes of the transition metals

Journal of Physical Chemistry A
2006 | Journal article
DOI:

10.1021/jp064071h
Source: Self-asserted source
Manuel Sparta via Scopus - Elsevier
grade
Preferred source (of 2)‎

Structure and stability of substitutional metallofullerenes of the first-row transition metals

Fullerenes Nanotubes and Carbon Nanostructures
2006 | Journal article
DOI:

10.1080/15363830600663974
Source: Self-asserted source
Manuel Sparta via Scopus - Elsevier
grade
Preferred source (of 2)‎

Developments in then-electron valence state perturbation theory

2005 | Journal article
DOI:

10.1002/qua.20831
Source: Self-asserted source
Manuel Sparta
grade
Preferred source (of 3)‎

The use of local orbitals in multireference calculations

Molecular Physics
2003 | Journal article
EID: 2-s2.0-12144291417
Source: Self-asserted source
Manuel Sparta via Scopus - Elsevier

The use of local orbitals in multireference calculations

MOLECULAR PHYSICS
2003 | Journal article
WOSUID:

WOS:000184006500019
Contributors: ANGELI, C; CALZADO, CJ; CIMIRAGLIA, R; et al.
Source: Self-asserted source
Manuel Sparta via ResearcherID
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