Pierre-François Loos - Publications

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104 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Burton HGA, Marut C, Daas TJ, Gori-Giorgi P, Loos PF. Variations of the Hartree-Fock fractional-spin error for one electron. The Journal of Chemical Physics. 155: 054107. PMID 34364354 DOI: 10.1063/5.0056968  1
2021 Kossoski F, Marie A, Scemama A, Caffarel M, Loos PF. Excited States from State-Specific Orbital-Optimized Pair Coupled Cluster. Journal of Chemical Theory and Computation. PMID 34310140 DOI: 10.1021/acs.jctc.1c00348  1
2021 Loos PF, Matthews DA, Lipparini F, Jacquemin D. How accurate are EOM-CC4 vertical excitation energies? The Journal of Chemical Physics. 154: 221103. PMID 34241206 DOI: 10.1063/5.0055994  1
2021 Loos PF, Comin M, Blase X, Jacquemin D. Reference Energies for Intramolecular Charge-Transfer Excitations. Journal of Chemical Theory and Computation. 17: 3666-3686. PMID 33955742 DOI: 10.1021/acs.jctc.1c00226  1
2021 Monino E, Loos PF. Spin-Conserved and Spin-Flip Optical Excitations from the Bethe-Salpeter Equation Formalism. Journal of Chemical Theory and Computation. PMID 33724811 DOI: 10.1021/acs.jctc.1c00074  0.01
2021 Marie A, Burton HGA, Loos PF. Perturbation Theory in the Complex Plane: Exceptional Points and Where to Find Them. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 33601362 DOI: 10.1088/1361-648X/abe795  1
2021 Sarkar R, Boggio-Pasqua M, Loos PF, Jacquemin D. Benchmarking TD-DFT and Wave Function Methods for Oscillator Strengths and Excited-State Dipole Moments. Journal of Chemical Theory and Computation. PMID 33492950 DOI: 10.1021/acs.jctc.0c01228  1
2020 Rapp J, Keenan S, Taylor D, Rapp A, Turconi M, Maves R, Kavanaugh M, Makati D, Powell D, Loos PE, Sarkisian S, Sakhuja A, Mosely DS, Shackelford SA. Sepsis Management in Prolonged Field Care: 28 October 2020. Journal of Special Operations Medicine : a Peer Reviewed Journal For Sof Medical Professionals. 20: 27-39. PMID 33320310  0.01
2020 Berger JA, Loos PF, Romaniello P. Potential Energy Surfaces without Unphysical Discontinuities: The Coulomb Hole Plus Screened Exchange Approach. Journal of Chemical Theory and Computation. PMID 33306908 DOI: 10.1021/acs.jctc.0c00896  1
2020 Chrayteh A, Blondel A, Loos PF, Jacquemin D. Mountaineering Strategy to Excited States: Highly Accurate Oscillator Strengths and Dipole Moments of Small Molecules. Journal of Chemical Theory and Computation. PMID 33256412 DOI: 10.1021/acs.jctc.0c01111  1
2020 Brandenburg JG, Burke K, Fromager E, Gatti M, Giarrusso S, Gidopoulos NI, Gori-Giorgi P, Gowland D, Helgaker T, Hodgson MJP, Lacombe L, Levi G, Loos PF, Maitra NT, Maurina Morais E, et al. New approaches to study excited states in density functional theory: general discussion. Faraday Discussions. PMID 33245076 DOI: 10.1039/d0fd90026e  1
2020 Fromager E, Gidopoulos N, Gori-Giorgi P, Helgaker T, Loos PF, Malcomson T, Pernal K, Savin A, Truhlar DG, Wibowo M, Yang W. Strong correlation in density functional theory: general discussion. Faraday Discussions. PMID 33241821 DOI: 10.1039/d0fd90025g  1
2020 Brandenburg JG, Burke K, Civalleri B, Cole DJ, Csányi G, David G, Gidopoulos NI, Gowland D, Helgaker T, Herbst MF, Hourahine B, Irons TJP, Jacob CR, Loos PF, Mehta N, et al. Challenges for large scale simulation: general discussion. Faraday Discussions. PMID 33227116 DOI: 10.1039/d0fd90024a  1
2020 Authier J, Loos PF. Dynamical kernels for optical excitations. The Journal of Chemical Physics. 153: 184105. PMID 33187435 DOI: 10.1063/5.0028040  0.01
2020 Benali A, Gasperich K, Jordan KD, Applencourt T, Luo Y, Bennett MC, Krogel JT, Shulenburger L, Kent PRC, Loos PF, Scemama A, Caffarel M. Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids-A case study in diamond. The Journal of Chemical Physics. 153: 184111. PMID 33187421 DOI: 10.1063/5.0021036  1
2020 Scemama A, Giner E, Benali A, Loos PF. Taming the fixed-node error in diffusion Monte Carlo via range separation. The Journal of Chemical Physics. 153: 174107. PMID 33167659 DOI: 10.1063/5.0026324  1
2020 Loos PF, Damour Y, Scemama A. The performance of CIPSI on the ground state electronic energy of benzene. The Journal of Chemical Physics. 153: 176101. PMID 33167654 DOI: 10.1063/5.0027617  1
2020 Loos PF, Blase X. Dynamical correction to the Bethe-Salpeter equation beyond the plasmon-pole approximation. The Journal of Chemical Physics. 153: 114120. PMID 32962392 DOI: 10.1063/5.0023168  1
2020 Marut C, Senjean B, Fromager E, Loos PF. Weight dependence of local exchange-correlation functionals in ensemble density-functional theory: double excitations in two-electron systems. Faraday Discussions. PMID 32910116 DOI: 10.1039/D0Fd00059K  1
2020 Blase X, Duchemin I, Jacquemin D, Loos PF. The Bethe-Salpeter Equation Formalism: From Physics to Chemistry. The Journal of Physical Chemistry Letters. PMID 32787315 DOI: 10.1021/Acs.Jpclett.0C01875  1
2020 Loos PF, Fromager E. A weight-dependent local correlation density-functional approximation for ensembles. The Journal of Chemical Physics. 152: 214101. PMID 32505144 DOI: 10.1063/5.0007388  1
2020 Giner E, Scemama A, Loos PF, Toulouse J. A basis-set error correction based on density-functional theory for strongly correlated molecular systems. The Journal of Chemical Physics. 152: 174104. PMID 32384859 DOI: 10.1063/5.0002892  1
2020 Loos PF, Scemama A, Boggio-Pasqua M, Jacquemin D. A Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Exotic Molecules and Radicals. Journal of Chemical Theory and Computation. PMID 32379442 DOI: 10.1021/Acs.Jctc.0C00227  1
2020 Loos PF, Scemama A, Duchemin I, Jacquemin D, Blase X. Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies. The Journal of Physical Chemistry Letters. 3536-3545. PMID 32298578 DOI: 10.1021/Acs.Jpclett.0C00460  1
2020 Loos PF, Scemama A, Jacquemin D. The Quest for Highly Accurate Excitation Energies: A Computational Perspective. The Journal of Physical Chemistry Letters. 2374-2383. PMID 32125872 DOI: 10.1021/Acs.Jpclett.0C00014  1
2020 Loos PF, Lipparini F, Boggio-Pasqua M, Scemama A, Jacquemin D. A Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Medium Size Molecules. Journal of Chemical Theory and Computation. PMID 31986042 DOI: 10.1021/Acs.Jctc.9B01216  1
2020 Hollett JW, Loos PF. Capturing static and dynamic correlation with ΔNO-MP2 and ΔNO-CCSD. The Journal of Chemical Physics. 152: 014101. PMID 31914756 DOI: 10.1063/1.5140669  0.01
2020 Loos PF, Jacquemin D. Is ADC(3) as Accurate as CC3 for Valence and Rydberg Transition Energies? The Journal of Physical Chemistry Letters. 974-980. PMID 31913639 DOI: 10.1021/Acs.Jpclett.9B03652  1
2019 Loos PF, Pradines B, Scemama A, Giner E, Toulouse J. A Density-Based Basis-Set Incompleteness Correction for GW Methods. Journal of Chemical Theory and Computation. PMID 31891503 DOI: 10.1021/Acs.Jctc.9B01067  1
2019 Giner E, Scemama A, Toulouse J, Loos PF. Chemically accurate excitation energies with small basis sets. The Journal of Chemical Physics. 151: 144118. PMID 31615253 DOI: 10.1063/1.5122976  1
2019 Suellen C, Freitas RG, Loos PF, Jacquemin D. Cross-Comparisons between Experiment, TD-DFT, CC, and ADC for Transition Energies. Journal of Chemical Theory and Computation. PMID 31265781 DOI: 10.1021/Acs.Jctc.9B00446  1
2019 Burton HGA, Thom AJW, Loos PF. Parity-Time Symmetry in Hartree-Fock Theory. Journal of Chemical Theory and Computation. PMID 31260297 DOI: 10.1021/Acs.Jctc.9B00289  1
2019 Loos PF, Pradines B, Scemama A, Toulouse J, Giner E. A Density-Based Basis-Set Correction for Wave Function Theory. The Journal of Physical Chemistry Letters. 2931-2937. PMID 31090432 DOI: 10.1021/Acs.Jpclett.9B01176  1
2019 Garniron Y, Applencourt T, Gasperich K, Benali A, Ferte A, Paquier J, Pradines B, Assaraf R, Reinhardt P, Toulouse J, Barbaresco P, Renon N, David G, Malrieu JP, Veril M, ... ... Loos PF, et al. Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs. Journal of Chemical Theory and Computation. PMID 31082265 DOI: 10.1021/Acs.Jctc.9B00176  1
2019 Loos PF, Jacquemin D. Chemically Accurate 0-0 Energies with not-so-Accurate Excited State Geometries. Journal of Chemical Theory and Computation. PMID 30802404 DOI: 10.1021/Acs.Jctc.8B01103  1
2019 Burton HGA, Thom AJW, Loos PF. Complex adiabatic connection: A hidden non-Hermitian path from ground to excited states. The Journal of Chemical Physics. 150: 041103. PMID 30709258 DOI: 10.1063/1.5085121  1
2019 Loos PF, Boggio-Pasqua M, Scemama A, Caffarel M, Jacquemin D. Reference Energies for Double Excitations. Journal of Chemical Theory and Computation. PMID 30689951 DOI: 10.1021/Acs.Jctc.8B01205  1
2019 Loos P, Jacquemin D. Evaluating 0–0 Energies with Theoretical Tools: A Short Review Arxiv: Chemical Physics. 3: 684-696. DOI: 10.1002/Cptc.201900070  1
2018 Veril M, Romaniello P, Berger JA, Loos PF. Unphysical Discontinuities in GW Methods. Journal of Chemical Theory and Computation. PMID 30212627 DOI: 10.1021/Acs.Jctc.8B00745  1
2018 Garniron Y, Scemama A, Giner E, Caffarel M, Loos PF. Selected configuration interaction dressed by perturbation. The Journal of Chemical Physics. 149: 064103. PMID 30111155 DOI: 10.1063/1.5044503  1
2018 Loos PF, Galland N, Jacquemin D. Theoretical 0-0 Energies with Chemical Accuracy. The Journal of Physical Chemistry Letters. 4646-4651. PMID 30063359 DOI: 10.1021/Acs.Jpclett.8B02058  1
2018 Brooke L, Diaz-Marquez A, Evangelisti S, Leininger T, Loos PF, Suaud N, Berger JA. Distributed Gaussian orbitals for the description of electrons in an external potential. Journal of Molecular Modeling. 24: 216. PMID 30051296 DOI: 10.1007/S00894-018-3749-X  1
2018 Scemama A, Benali A, Jacquemin D, Caffarel M, Loos PF. Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes. The Journal of Chemical Physics. 149: 034108. PMID 30037241 DOI: 10.1063/1.5041327  1
2018 Loos PF, Scemama A, Blondel A, Garniron Y, Caffarel M, Jacquemin D. A Mountaineering Strategy to Excited States: Highly-Accurate Reference Energies and Benchmarks. Journal of Chemical Theory and Computation. PMID 29966098 DOI: 10.1021/Acs.Jctc.8B00406  1
2018 Loos PF, Romaniello P, Berger JA. Green functions and self-consistency: insights from the spherium model. Journal of Chemical Theory and Computation. PMID 29746773 DOI: 10.1021/Acs.Jctc.8B00260  1
2018 Scemama A, Garniron Y, Caffarel M, Loos PF. Deterministic construction of nodal surfaces within quantum Monte Carlo: the case of FeS. Journal of Chemical Theory and Computation. PMID 29376369 DOI: 10.1021/Acs.Jctc.7B01250  1
2017 Garniron Y, Scemama A, Loos PF, Caffarel M. Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory. The Journal of Chemical Physics. 147: 034101. PMID 28734281 DOI: 10.1063/1.4992127  1
2017 Barca GMJ, Loos PF. Three- and four-electron integrals involving Gaussian geminals: Fundamental integrals, upper bounds, and recurrence relations. The Journal of Chemical Physics. 147: 024103. PMID 28711054 DOI: 10.1063/1.4991733  1
2017 Loos PF, Rivail JL, Assfeld X. Iterative stochastic subspace self-consistent field method. Journal of Molecular Modeling. 23: 173. PMID 28466425 DOI: 10.1007/S00894-017-3347-3  1
2017 Loos PF. Exchange functionals based on finite uniform electron gases. The Journal of Chemical Physics. 146: 114108. PMID 28330368 DOI: 10.1063/1.4978409  0.01
2017 Rogers FJ, Loos PF. Excited-state Wigner crystals. The Journal of Chemical Physics. 146: 044114. PMID 28147519 DOI: 10.1063/1.4974839  0.01
2017 Ball CJ, Loos PF, Gill PM. Molecular electronic structure in one-dimensional Coulomb systems. Physical Chemistry Chemical Physics : Pccp. PMID 28106179 DOI: 10.1039/C6Cp06801D  1
2016 Barca GM, Loos PF, Gill PM. Many-electron integrals over gaussian basis functions. I. Recurrence relations for three-electron integrals. Journal of Chemical Theory and Computation. PMID 26981747 DOI: 10.1021/Acs.Jctc.6B00130  1
2016 Tognetti V, Loos PF. Natural occupation numbers in two-electron quantum rings. The Journal of Chemical Physics. 144: 054108. PMID 26851909 DOI: 10.1063/1.4940919  0.01
2016 Rogers FJM, Loos P, Ball CJ. Symmetry-broken local-density approximation for one-dimensional systems Physical Review B. 93. DOI: 10.1103/Physrevb.93.235114  1
2015 Loos PF, Bloomfield NJ, Gill PM. Communication: Three-electron coalescence points in two and three dimensions. The Journal of Chemical Physics. 143: 181101. PMID 26567635 DOI: 10.1063/1.4935374  1
2015 Agboola D, Knol AL, Gill PM, Loos PF. Uniform electron gases. III. Low-density gases on three-dimensional spheres. The Journal of Chemical Physics. 143: 084114. PMID 26328825 DOI: 10.1063/1.4929353  1
2015 Loos PF, Bressanini D. Nodal surfaces and interdimensional degeneracies. The Journal of Chemical Physics. 142: 214112. PMID 26049484 DOI: 10.1063/1.4922159  0.01
2015 Loos PF, Ball CJ, Gill PM. Chemistry in one dimension. Physical Chemistry Chemical Physics : Pccp. 17: 3196-206. PMID 25518906 DOI: 10.1039/C4Cp03571B  1
2014 Gill PM, Loos PF, Agboola D. Basis functions for electronic structure calculations on spheres. The Journal of Chemical Physics. 141: 244102. PMID 25554128 DOI: 10.1063/1.4903984  1
2014 Loos PF, Ball CJ, Gill PM. Uniform electron gases. II. The generalized local density approximation in one dimension. The Journal of Chemical Physics. 140: 18A524. PMID 24832332 DOI: 10.1063/1.4867910  1
2014 Loos P. Generalized local-density approximation and one-dimensional finite uniform electron gases Physical Review A. 89: 52523. DOI: 10.1103/Physreva.89.052523  0.01
2014 Loos PF, Gill PMW. Exact wave functions for concentric two-electron systems Physics Letters, Section a: General, Atomic and Solid State Physics. 378: 329-333. DOI: 10.1016/J.Physleta.2013.11.045  1
2013 Loos PF, Gill PM. Uniform electron gases. I. Electrons on a ring. The Journal of Chemical Physics. 138: 164124. PMID 23635128 DOI: 10.1063/1.4802589  1
2013 Loos PF. High-density correlation energy expansion of the one-dimensional uniform electron gas. The Journal of Chemical Physics. 138: 064108. PMID 23425462 DOI: 10.1063/1.4790613  0.01
2013 Bernard YA, Loos PF, Gill PMW. Distribution of r12 · p12 in quantum systems Molecular Physics. 111: 2414-2426. DOI: 10.1080/00268976.2013.811302  1
2012 Loos PF, Gill PM. Exact wave functions of two-electron quantum rings. Physical Review Letters. 108: 083002. PMID 22463526 DOI: 10.1103/Physrevlett.108.083002  1
2012 Loos PF, Gill PMW. Harmonically trapped jellium Molecular Physics. 110: 2337-2342. DOI: 10.1080/00268976.2012.679634  1
2012 Loos P. Understanding excitons using spherical geometry Physics Letters A. 376: 1997-2000. DOI: 10.1016/J.Physleta.2012.05.010  0.01
2012 Loos PF, Gill PMW. Leading-order behavior of the correlation energy in the uniform electron gas International Journal of Quantum Chemistry. 112: 1712-1716. DOI: 10.1002/Qua.23155  1
2011 Loos PF, Gill PM. Thinking outside the box: the uniform electron gas on a hypersphere. The Journal of Chemical Physics. 135: 214111. PMID 22149783 DOI: 10.1063/1.3665393  1
2011 Loos PF, Gill PMW. Correlation energy of the spin-polarized uniform electron gas at high density Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.033103  1
2011 Loos PF, Gill PMW. Exact energy of the spin-polarized two-dimensional electron gas at high density Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.233102  1
2011 Zhao Y, Loos PF, Gill PMW. Correlation energy of anisotropic quantum dots Physical Review a - Atomic, Molecular, and Optical Physics. 84. DOI: 10.1103/Physreva.84.032513  1
2010 Loos PF, Gill PM. Invariance of the correlation energy at high density and large dimension in two-electron systems. Physical Review Letters. 105: 113001. PMID 20867567 DOI: 10.1103/Physrevlett.105.113001  1
2010 Loos PF, Gill PM. Correlation energy of two electrons in a ball. The Journal of Chemical Physics. 132: 234111. PMID 20572693 DOI: 10.1063/1.3455706  1
2010 Ambrosek D, Loos PF, Assfeld X, Daniel C. A theoretical study of Ru(II) polypyridyl DNA intercalators structure and electronic absorption spectroscopy of [Ru(phen)2(dppz)]2+ and [Ru(tap)2(dppz)]2+ complexes intercalated in guanine-cytosine base pairs. Journal of Inorganic Biochemistry. 104: 893-901. PMID 20554006 DOI: 10.1016/J.Jinorgbio.2010.04.002  1
2010 Loos PF, Gill PMW. Ground state of two electrons on concentric spheres Physical Review a - Atomic, Molecular, and Optical Physics. 81. DOI: 10.1103/Physreva.81.052510  1
2010 Loos P. Hooke's law correlation in two-electron systems Physical Review A. 81: 32510. DOI: 10.1103/Physreva.81.032510  0.01
2010 Loos PF, Gill PMW. Excited states of spherium Molecular Physics. 108: 2527-2532. DOI: 10.1080/00268976.2010.508472  1
2010 Loos PF, Gill PMW. A tale of two electrons: Correlation at high density Chemical Physics Letters. 500: 1-8. DOI: 10.1016/J.Cplett.2010.09.019  1
2010 Dumont E, Loos PF, Laurent AD, Assfeld X. Electronic effects and ring strain influences on the electron uptake by selenium-containing bonds International Journal of Quantum Chemistry. 110: 513-523. DOI: 10.1002/Qua.22072  1
2009 Dumont É, Laurent AD, Loos PF, Assfeld X. Analyzing the Selectivity and Successiveness of a Two-Electron Capture on a Multiply Disulfide-Linked Protein. Journal of Chemical Theory and Computation. 5: 1700-8. PMID 26609860 DOI: 10.1021/Ct900093H  1
2009 Loos PF, Gill PM. Correlation energy of two electrons in the high-density limit. The Journal of Chemical Physics. 131: 241101. PMID 20059043 DOI: 10.1063/1.3275519  1
2009 Loos PF, Gill PM. Two electrons on a hypersphere: a quasiexactly solvable model. Physical Review Letters. 103: 123008. PMID 19792435 DOI: 10.1103/Physrevlett.103.123008  1
2009 Loos PF, Gill PMW. Ground state of two electrons on a sphere Physical Review a - Atomic, Molecular, and Optical Physics. 79. DOI: 10.1103/Physreva.79.062517  1
2009 Dumont E, Laurent AD, Loos PF, Assfeld X. Analyzing the selectivity and successiveness of a two-electron capture on a multiply disulfide-linked protein Journal of Chemical Theory and Computation. 5: 1700-1708. DOI: 10.1021/ct900093h  1
2009 Loos PF, Dumont E, Laurent AD, Assfeld X. Important effects of neighbouring nucleotides on electron induced DNA single-strand breaks Chemical Physics Letters. 475: 120-123. DOI: 10.1016/J.Cplett.2009.05.041  1
2008 Dumont E, Loos PF, Laurent AD, Assfeld X. Huge Disulfide-Linkage'S Electron Capture Variation Induced by α-Helix Orientation. Journal of Chemical Theory and Computation. 4: 1171-3. PMID 26631693 DOI: 10.1021/Ct800161M  1
2008 Loos PF, Preat J, Laurent AD, Michaux C, Jacquemin D, Perpète EA, Assfeld X. Theoretical Investigation of the Geometries and UV-vis Spectra of Poly(l-glutamic acid) Featuring a Photochromic Azobenzene Side Chain. Journal of Chemical Theory and Computation. 4: 637-45. PMID 26620938 DOI: 10.1021/Ct700188W  1
2008 Dumont E, Loos PF, Assfeld X. Factors governing electron capture by small disulfide loops in two-cysteine peptides. The Journal of Physical Chemistry. B. 112: 13661-9. PMID 18837539 DOI: 10.1021/Jp806465E  1
2008 Dumont E, Loos PF, Laurent AD, Assfeld X. Huge disulfide-linkage'S electron capture variation induced by α-helix orientation Journal of Chemical Theory and Computation. 4: 1171-1173. DOI: 10.1021/ct800161m  1
2008 Loos PF, Preat J, Laurent AD, Michaux C, Jacquemin D, Perpète EA, Assfeld X. Theoretical investigation of the geometries and UV-vis spectra of poly(L-glutamic acid) featuring a photochromic azobenzene side chain Journal of Chemical Theory and Computation. 4: 637-645. DOI: 10.1021/ct700188w  1
2008 Dumont E, Loos PF, Assfeld X. Effect of ring strain on disulfide electron attachment Chemical Physics Letters. 458: 276-280. DOI: 10.1016/J.Cplett.2008.05.010  1
2007 Loos PF, Assfeld X. Self-Consistent Strictly Localized Orbitals. Journal of Chemical Theory and Computation. 3: 1047-53. PMID 26627423 DOI: 10.1021/Ct6003214  1
2007 Loos P, Fornili A, Sironi M, Assfeld X. Removing the extra frontier parameters in QM/MM methods: a tentative with the Local Self-Consistent Field method Computing Letters. 3: 473-486. DOI: 10.1163/157404007782913309  1
2007 Loos PF, Assfeld X. On the frontier bond location in the QM/MM description of peptides and proteins Aip Conference Proceedings. 963: 308-315. DOI: 10.1063/1.2827014  1
2007 Loos PF, Assfeld X. Self-consistent strictly localized orbitals Journal of Chemical Theory and Computation. 3: 1047-1053. DOI: 10.1021/ct6003214  1
2007 Preat J, Loos PF, Assfeld X, Jacquemin D, Perpète EA. A TD-DFT investigation of UV spectra of pyranoïdic dyes: A NCM vs PCM comparison Journal of Molecular Structure: Theochem. 808: 85-91. DOI: 10.1016/J.Theochem.2006.12.047  1
2007 Loos PF, Assfeld X, Rivail JL. Intramolecular interactions and cis peptidic bonds Theoretical Chemistry Accounts. 118: 165-171. DOI: 10.1007/S00214-007-0258-X  1
2007 Loos PF, Assfeld X. Core-ionized and core-excited states of macromolecules International Journal of Quantum Chemistry. 107: 2243-2252. DOI: 10.1002/Qua.21410  1
2007 Preat J, Loos PF, Assfeld X, Jacquemin D, Perpète EA. DFT and TD-DFT investigation of IR and UV spectra of solvated molecules: Comparison of two SCRF continuum models International Journal of Quantum Chemistry. 107: 574-585. DOI: 10.1002/Qua.21182  1
2006 Fornili A, Loos PF, Sironi M, Assfeld X. Frozen core orbitals as an alternative to specific frontier bond potential in hybrid Quantum Mechanics/Molecular Mechanics methods Chemical Physics Letters. 427: 236-240. DOI: 10.1016/J.Cplett.2006.06.095  1
2004 Moreau Y, Loos PF, Assfeld X. Solvent effects on the asymmetric Diels-Alder reaction between cyclopentadiene and (-)-menthyl acrylate revisited with the three-layer hybrid local self-consistent field/molecular mechanics/self-consistent reaction field method Theoretical Chemistry Accounts. 112: 228-239. DOI: 10.1007/S00214-004-0581-4  1
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