☰

Markus Meuwly, PhD - Publications

Affiliations: 
University of Basel, Basel, Basel-Stadt, Switzerland 
Area:
Computational and Theoretical Chemistry
Tree Info Similar researchers PubMed Report error

278 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
2023 Upadhyay M, Töpfer K, Meuwly M. Molecular Simulation for Atmospheric Reactions: Non-Equilibrium Dynamics, Roaming, and Glycolaldehyde Formation following Photoinduced Decomposition of Acetaldehyde Oxide. The Journal of Physical Chemistry Letters. 15: 90-96. PMID 38147042 DOI: 10.1021/acs.jpclett.3c03131  0.316
2023 Song K, Käser S, Töpfer K, Vazquez-Salazar LI, Meuwly M. PhysNet meets CHARMM: A framework for routine machine learning/molecular mechanics simulations. The Journal of Chemical Physics. 159. PMID 37435940 DOI: 10.1063/5.0155992  0.31
2023 Hickson KM, San Vicente Veliz JC, Koner D, Meuwly M. Low-temperature kinetics for the N + NO reaction: experiment guides the way. Physical Chemistry Chemical Physics : Pccp. PMID 37165792 DOI: 10.1039/d3cp00584d  0.697
2023 Töpfer K, Koner D, Erramilli S, Ziegler LD, Meuwly M. Molecular-level understanding of the rovibrational spectra of NO in gaseous, supercritical, and liquid SF and Xe. The Journal of Chemical Physics. 158: 144302. PMID 37061478 DOI: 10.1063/5.0143395  0.721
2023 Salehi SM, Pezzella M, Willard A, Meuwly M, Karplus M. Water dynamics around T vs R of hemoglobin from local hydrophobicity analysis. The Journal of Chemical Physics. 158: 025101. PMID 36641390 DOI: 10.1063/5.0129990  0.779
2022 Salehi SM, Käser S, Töpfer K, Diamantis P, Pfister R, Hamm P, Rothlisberger U, Meuwly M. Hydration dynamics and IR spectroscopy of 4-fluorophenol. Physical Chemistry Chemical Physics : Pccp. 24: 26046-26060. PMID 36268728 DOI: 10.1039/d2cp02857c  0.308
2022 San Vicente Veliz JC, Arnold J, Bemish RJ, Meuwly M. Combining Machine Learning and Spectroscopy to Model Reactive Atom + Diatom Collisions. The Journal of Physical Chemistry. A. 126: 7971-7980. PMID 36260521 DOI: 10.1021/acs.jpca.2c06267  0.673
2022 Goswami S, San Vicente Veliz JC, Upadhyay M, Bemish RJ, Meuwly M. Quantum and quasi-classical dynamics of the C(P) + O(Σ-g) → CO(Σ) + O(D) reaction on its electronic ground state. Physical Chemistry Chemical Physics : Pccp. PMID 36165004 DOI: 10.1039/d2cp02840a  0.682
2022 Patra S, San Vicente Veliz JC, Koner D, Bieske EJ, Meuwly M. Photodissociation dynamics of N. The Journal of Chemical Physics. 156: 124307. PMID 35364866 DOI: 10.1063/5.0085081  0.775
2022 Meuwly M. Atomistic Simulations for Reactions and Vibrational Spectroscopy in the Era of Machine Learning─ The Journal of Physical Chemistry. B. 126: 2155-2167. PMID 35286087 DOI: 10.1021/acs.jpcb.2c00212  0.305
2022 Turan HT, Brickel S, Meuwly M. Solvent Effects on the Menshutkin Reaction. The Journal of Physical Chemistry. B. PMID 35196449 DOI: 10.1021/acs.jpcb.1c09710  0.801
2022 Arnold J, San Vicente Veliz JC, Koner D, Singh N, Bemish RJ, Meuwly M. Machine learning product state distributions from initial reactant states for a reactive atom-diatom collision system. The Journal of Chemical Physics. 156: 034301. PMID 35065562 DOI: 10.1063/5.0078008  0.797
2021 Meuwly M, Karplus M. The functional role of the hemoglobin-water interface. Molecular Aspects of Medicine. 101042. PMID 34756740 DOI: 10.1016/j.mam.2021.101042  0.463
2021 Mondal P, Cazade PA, Das AK, Bereau T, Meuwly M. Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine Trimer. The Journal of Physical Chemistry. B. PMID 34559531 DOI: 10.1021/acs.jpcb.1c05423  0.809
2021 Vazquez-Salazar LI, Boittier ED, Unke OT, Meuwly M. Impact of the Characteristics of Quantum Chemical Databases on Machine Learning Prediction of Tautomerization Energies. Journal of Chemical Theory and Computation. PMID 34288675 DOI: 10.1021/acs.jctc.1c00363  0.715
2021 Upadhyay M, Pezzella M, Meuwly M. Genesis of Polyatomic Molecules in Dark Clouds: CO Formation on Cold Amorphous Solid Water. The Journal of Physical Chemistry Letters. 6781-6787. PMID 34270244 DOI: 10.1021/acs.jpclett.1c01810  0.784
2021 San Vicente Veliz JC, Koner D, Schwilk M, Bemish RJ, Meuwly M. The C(P) + O(Σ) → CO ↔ CO(Σ) + O(D)/O(P) reaction: thermal and vibrational relaxation rates from 15 K to 20 000 K. Physical Chemistry Chemical Physics : Pccp. PMID 33949507 DOI: 10.1039/d1cp01101d  0.796
2021 Castro-Palacio JC, Bemish RJ, Meuwly M. Erratum: "Equilibrium rate coefficients from atomistic simulations: The O(P) + NO(Π) → O(XΣ) + N(S) reaction at temperatures relevant to the hypersonic flight regime" [J. Chem. Phys. 142, 091104 (2015)]. The Journal of Chemical Physics. 154: 089901. PMID 33639762 DOI: 10.1063/5.0046099  0.636
2021 Castro-Palacio JC, Nagy T, Bemish RJ, Meuwly M. Erratum: "Computational study of collisions between O(P) and NO(Π) at temperatures relevant to the hypersonic flight regime" [J. Chem. Phys. 141, 164319 (2014)]. The Journal of Chemical Physics. 154: 089902. PMID 33639759 DOI: 10.1063/5.0046241  0.702
2020 Salehi SM, Koner D, Meuwly M. Dynamics and Infrared Spectrocopy of Monomeric and Dimeric Wild Type and Mutant Insulin. The Journal of Physical Chemistry. B. PMID 33245663 DOI: 10.1021/acs.jpcb.0c08048  0.705
2020 Devereux M, Pezzella M, Raghunathan S, Meuwly M. Polarizable Multipolar Molecular Dynamics Using Distributed Point Charges. Journal of Chemical Theory and Computation. PMID 33245239 DOI: 10.1021/acs.jctc.0c00883  0.811
2020 Käser S, Koner D, Christensen AS, von Lilienfeld OA, Meuwly M. ML Models of Vibrating HCO: Comparing Reproducing Kernels, FCHL and PhysNet. The Journal of Physical Chemistry. A. PMID 32970440 DOI: 10.1021/acs.jpca.0c05979  0.698
2020 Koner D, Meuwly M. Permutationally Invariant, Reproducing Kernel-Based Potential Energy Surfaces for Polyatomic Molecules: From Formaldehyde to Acetone. Journal of Chemical Theory and Computation. 16: 5474-5484. PMID 32787180 DOI: 10.1021/Acs.Jctc.0C00535  0.727
2020 Koner D, San Vicente Veliz JC, Bemish RJ, Meuwly M. Accurate reproducing kernel-based potential energy surfaces for the triplet ground states of NO and dynamics for the N + NO ↔ O + N and N + O → 2N + O reactions. Physical Chemistry Chemical Physics : Pccp. 22: 18488-18498. PMID 32779667 DOI: 10.1039/D0Cp02509G  0.807
2020 Koner D, Schwilk M, Patra S, Bieske EJ, Meuwly M. N: Full-dimensional ground state potential energy surface, vibrational energy levels, and dynamics. The Journal of Chemical Physics. 153: 044302. PMID 32752669 DOI: 10.1063/5.0011957  0.789
2020 Arnold J, Koner D, Käser S, Singh N, Bemish RJ, Meuwly M. Machine Learning for Observables: Reactant to Product State Distributions for Atom-Diatom Collisions. The Journal of Physical Chemistry. A. PMID 32700534 DOI: 10.1021/Acs.Jpca.0C05173  0.799
2020 Koner D, Salehi SM, Mondal P, Meuwly M. Non-conventional force fields for applications in spectroscopy and chemical reaction dynamics. The Journal of Chemical Physics. 153: 010901. PMID 32640805 DOI: 10.1063/5.0009628  0.816
2020 Pezzella M, El Hage K, Niesen M, Shin S, Willard AP, Meuwly M, Karplus M. Water Dynamics Around Proteins: T- and R-States of Hemoglobin and Melittin. The Journal of Physical Chemistry. B. PMID 32589026 DOI: 10.1021/Acs.Jpcb.0C04320  0.787
2020 Koner D, Bemish RJ, Meuwly M. Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics. The Journal of Physical Chemistry. A. PMID 32515959 DOI: 10.1021/Acs.Jpca.0C01870  0.817
2020 Käser S, Unke OT, Meuwly M. Isomerization and decomposition reactions of acetaldehyde relevant to atmospheric processes from dynamics simulations on neural network-based potential energy surfaces. The Journal of Chemical Physics. 152: 214304. PMID 32505139 DOI: 10.1063/5.0008223  0.764
2020 Sweeny BC, Pan H, Kassem A, Sawyer JC, Ard SG, Shuman NS, Viggiano AA, Brickel S, Unke OT, Upadhyay M, Meuwly M. Thermal activation of methane by MgO: temperature dependent kinetics, reactive molecular dynamics simulations and statistical modeling. Physical Chemistry Chemical Physics : Pccp. PMID 32292975 DOI: 10.1039/D0Cp00668H  0.8
2020 Pezzella M, Koner D, Meuwly M. Formation and Stabilization of Ground and Excited State Singlet O upon Recombination of P Oxygen on Amorphous Solid Water. The Journal of Physical Chemistry Letters. PMID 32059109 DOI: 10.1021/Acs.Jpclett.0C00130  0.805
2020 San Vicente Veliz JC, Koner D, Schwilk M, Bemish RJ, Meuwly M. The N(S) + O(XΣ) ↔ O(P) + NO(XΠ) reaction: thermal and vibrational relaxation rates for the A', A' and A'' states. Physical Chemistry Chemical Physics : Pccp. 22: 3927-3939. PMID 32016188 DOI: 10.1039/C9Cp06085E  0.808
2020 Unke OT, Koner D, Patra S, Käser S, Meuwly M. High-dimensional potential energy surfaces for molecular simulations: from empiricism to machine learning Machine Learning: Science and Technology. 1: 013001. DOI: 10.1088/2632-2153/Ab5922  0.797
2020 Käser S, Unke OT, Meuwly M. Reactive dynamics and spectroscopy of hydrogen transfer from neural network-based reactive potential energy surfaces New Journal of Physics. 22: 055002. DOI: 10.1088/1367-2630/Ab81B5  0.741
2019 Dörfler AD, Eberle P, Koner D, Tomza M, Meuwly M, Willitsch S. Long-range versus short-range effects in cold molecular ion-neutral collisions. Nature Communications. 10: 5429. PMID 31780657 DOI: 10.1038/S41467-019-13218-X  0.733
2019 Koner D, San Vicente Veliz JC, van der Avoird A, Meuwly M. Near dissociation states for H-He on MRCI and FCI potential energy surfaces. Physical Chemistry Chemical Physics : Pccp. 21: 24976-24983. PMID 31709442 DOI: 10.1039/C9Cp05259C  0.723
2019 Xu ZH, Meuwly M. Multi-State Reactive Molecular Dynamics Simulations of Proton Diffusion in Water Clusters and in Bulk. The Journal of Physical Chemistry. B. PMID 31647873 DOI: 10.1021/Acs.Jpcb.9B03258  0.397
2019 Rivero U, Unke OT, Meuwly M, Willitsch S. Reactive atomistic simulations of Diels-Alder reactions: The importance of molecular rotations. The Journal of Chemical Physics. 151: 104301. PMID 31521066 DOI: 10.1063/1.5114981  0.752
2019 Desmond JL, Koner D, Meuwly M. Probing the Differential Dynamics of the Monomeric and Dimeric Insulin from Amide-I IR Spectroscopy. The Journal of Physical Chemistry. B. PMID 31318551 DOI: 10.1021/Acs.Jpcb.9B04628  0.724
2019 El Hage K, Hédin F, Gupta PK, Meuwly M, Karplus M. Response to comment on 'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size'. Elife. 8. PMID 31219783 DOI: 10.7554/Elife.45318  0.785
2019 Koner D, Unke OT, Boe K, Bemish RJ, Meuwly M. Exhaustive state-to-state cross sections for reactive molecular collisions from importance sampling simulation and a neural network representation. The Journal of Chemical Physics. 150: 211101. PMID 31176351 DOI: 10.1063/1.5097385  0.806
2019 Unke OT, Meuwly M. PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments and Partial Charges. Journal of Chemical Theory and Computation. PMID 31042390 DOI: 10.1021/Acs.Jctc.9B00181  0.767
2019 Pezzella M, Meuwly M. O formation in cold environments. Physical Chemistry Chemical Physics : Pccp. PMID 30834902 DOI: 10.1039/C8Cp07474G  0.817
2019 Salehi M, Koner D, Meuwly M. Vibrational Spectroscopy of N in the Gas- and Condensed-Phase. The Journal of Physical Chemistry. B. PMID 30830786 DOI: 10.1021/Acs.Jpcb.8B11430  0.735
2019 Unke OT, Brickel S, Meuwly M. Sampling reactive regions in phase space by following the minimum dynamic path. The Journal of Chemical Physics. 150: 074107. PMID 30795657 DOI: 10.1063/1.5082885  0.808
2019 Diamantis P, El Hage K, Meuwly M. Effect of Single-Point Mutations on Nitric Oxide Rebinding and the Thermodynamic Stability of Myoglobin. The Journal of Physical Chemistry. B. PMID 30724565 DOI: 10.1021/Acs.Jpcb.8B11454  0.736
2019 Hage KE, Hédin F, Gupta PK, Meuwly M, Karplus M. Author response: Response to comment on 'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size' Elife. DOI: 10.7554/Elife.45318.012  0.601
2019 Brickel S, Das AK, Unke OT, Turan HT, Meuwly M. Reactive molecular dynamics for the [Cl–CH 3 –Br] − reaction in the gas phase and in solution: a comparative study using empirical and neural network force fields Electronic Structure. 1: 024002. DOI: 10.1088/2516-1075/AB1EDB  0.781
2018 Brickel S, Meuwly M. Molecular Determinants for the Rate Acceleration in the Claisen Rearrangement Reaction. The Journal of Physical Chemistry. B. PMID 30540184 DOI: 10.1021/Acs.Jpcb.8B11059  0.791
2018 Koner D, Bemish RJ, Meuwly M. The C(P) + NO(XΠ) O(P) + CN(XΣ), N(D)/N(S) + CO(XΣ) reaction: Rates, branching ratios, and final states from 15 K to 20 000 K. The Journal of Chemical Physics. 149: 094305. PMID 30195287 DOI: 10.1063/1.5046906  0.817
2018 El Hage K, Hédin F, Gupta PK, Meuwly M, Karplus M. Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size. Elife. 7. PMID 29998846 DOI: 10.7554/Elife.35560  0.798
2018 Sidler D, Meuwly M, Hamm P. An efficient water force field calibrated against intermolecular THz and Raman spectra. The Journal of Chemical Physics. 148: 244504. PMID 29960356 DOI: 10.1063/1.5037062  0.405
2018 Unke OT, Meuwly M. A reactive, scalable, and transferable model for molecular energies from a neural network approach based on local information. The Journal of Chemical Physics. 148: 241708. PMID 29960298 DOI: 10.1063/1.5017898  0.761
2018 El Hage K, Bemish RJ, Meuwly M. From in silica to in silico: retention thermodynamics at solid-liquid interfaces. Physical Chemistry Chemical Physics : Pccp. PMID 29953146 DOI: 10.1039/C8Cp02899K  0.804
2018 Raghunathan S, El Hage K, Desmond J, Zhang L, Meuwly M. The Role of Water in the Stability of Wild Type and Mutant Insulin Dimers. The Journal of Physical Chemistry. B. PMID 29916244 DOI: 10.1021/Acs.Jpcb.8B04448  0.738
2018 Mondal P, Meuwly M. Solvent Composition Drives the Rebinding Kinetics of Nitric Oxide to Microperoxidase. Scientific Reports. 8: 5281. PMID 29588445 DOI: 10.1038/S41598-018-22944-Z  0.742
2018 Pezzella M, Unke OT, Meuwly M. Molecular Oxygen Formation in Interstellar Ices Does Not Require Tunneling. The Journal of Physical Chemistry Letters. 1822-1826. PMID 29575890 DOI: 10.1021/Acs.Jpclett.8B00328  0.791
2018 Schmid MH, Das AK, Landis CR, Meuwly M. Multi-State VALBOND for Atomistic Simulations of Hypervalent Molecules, Metal Complexes and Reactions. Journal of Chemical Theory and Computation. PMID 29490133 DOI: 10.1021/Acs.Jctc.7B01210  0.754
2018 Meuwly M, Das AK. Kinetics and Structural Interpretation of Competitive Ligand Binding for NO Dioxygenation in Truncated Hemoglobin N. Angewandte Chemie (International Ed. in English). PMID 29356324 DOI: 10.1002/Anie.201711445  0.726
2018 El Hage K, Brickel S, Hermelin S, Gaulier G, Schmidt C, Bonacina L, van Keulen SC, Bhattacharyya S, Chergui M, Hamm P, Rothlisberger U, Wolf JP, Meuwly M. Erratum: Publisher's Note: "Implications of short time scale dynamics on long time processes" (Struct. Dyn. 4, 061507 (2017)]. Structural Dynamics (Melville, N.Y.). 5: 019901. PMID 29345692 DOI: 10.1063/1.5020803  0.77
2018 Hage KE, Hédin F, Gupta PK, Meuwly M, Karplus M. Author response: Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size Elife. DOI: 10.7554/Elife.35560.024  0.613
2018 El Hage K, Mondal P, Meuwly M. Free energy simulations for protein ligand binding and stability Molecular Simulation. 44: 1044-1061. DOI: 10.1080/08927022.2017.1416115  0.808
2018 Meuwly M. Reactive molecular dynamics: From small molecules to proteins Wiley Interdisciplinary Reviews: Computational Molecular Science. 9: e1386. DOI: 10.1002/Wcms.1386  0.342
2018 Das AK, Meuwly M. Kinetische Analyse und strukturelle Interpretation der kompetitiven Ligandenbindung für Denitrifikation in gekürztem Hämoglobin N Angewandte Chemie. 130: 3567-3572. DOI: 10.1002/Ange.201711445  0.68
2017 Bircher MP, Liberatore E, Browning NJ, Brickel S, Hofmann C, Patoz A, Unke OT, Zimmermann T, Chergui M, Hamm P, Keller U, Meuwly M, Woerner HJ, Vaníček J, Rothlisberger U. Nonadiabatic effects in electronic and nuclear dynamics. Structural Dynamics (Melville, N.Y.). 4: 061510. PMID 29376108 DOI: 10.1063/1.4996816  0.797
2017 Antipov SV, Bhattacharyya S, El Hage K, Xu ZH, Meuwly M, Rothlisberger U, Vaníček J. Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches. Structural Dynamics (Melville, N.Y.). 4: 061509. PMID 29376107 DOI: 10.1063/1.4996559  0.762
2017 Wörner HJ, Arrell CA, Banerji N, Cannizzo A, Chergui M, Das AK, Hamm P, Keller U, Kraus PM, Liberatore E, Lopez-Tarifa P, Lucchini M, Meuwly M, Milne C, Moser JE, et al. Charge migration and charge transfer in molecular systems. Structural Dynamics (Melville, N.Y.). 4: 061508. PMID 29333473 DOI: 10.1063/1.4996505  0.714
2017 Hamm P, Meuwly M, Johnson SL, Beaud P, Staub U. Perspective: THz-driven nuclear dynamics from solids to molecules. Structural Dynamics (Melville, N.Y.). 4: 061601. PMID 29308420 DOI: 10.1063/1.4992050  0.359
2017 El Hage K, Brickel S, Hermelin S, Gaulier G, Schmidt C, Bonacina L, van Keulen SC, Bhattacharyya S, Chergui M, Hamm P, Rothlisberger U, Wolf JP, Meuwly M. Implications of short time scale dynamics on long time processes. Structural Dynamics (Melville, N.Y.). 4: 061507. PMID 29308419 DOI: 10.1063/1.4996448  0.809
2017 Karandashev K, Xu ZH, Meuwly M, Vaníček J, Richardson JO. Kinetic isotope effects and how to describe them. Structural Dynamics (Melville, N.Y.). 4: 061501. PMID 29282447 DOI: 10.1063/1.4996339  0.379
2017 Unke OT, Devereux M, Meuwly M. Minimal distributed charges: Multipolar quality at the cost of point charge electrostatics. The Journal of Chemical Physics. 147: 161712. PMID 29096479 DOI: 10.1063/1.4993424  0.751
2017 Denis-Alpizar O, Unke OT, Bemish RJ, Meuwly M. Quantum and quasiclassical trajectory studies of rotational relaxation in Ar-N2(+) collisions. Physical Chemistry Chemical Physics : Pccp. PMID 29038798 DOI: 10.1039/C7Cp05036D  0.81
2017 El Hage K, Gupta PK, Bemish RJ, Meuwly M. Molecular Mechanisms Underlying Solute Retention at Heterogeneous Interfaces. The Journal of Physical Chemistry Letters. PMID 28872324 DOI: 10.1021/Acs.Jpclett.7B01966  0.795
2017 Das AK, Meuwly M. Hydration Control Through Intramolecular Degrees of Freedom: Molecular Dynamics of [Cu(II)(Imidazole)4]. The Journal of Physical Chemistry. B. PMID 28846415 DOI: 10.1021/Acs.Jpcb.7B05949  0.727
2017 Unke OT, Meuwly M. A Toolkit for The Construction of Reproducing Kernel-Based Representations of Data: Application to Multi-Dimensional Potential Energy Surfaces. Journal of Chemical Information and Modeling. PMID 28666387 DOI: 10.1021/Acs.Jcim.7B00090  0.761
2017 Brickel S, Meuwly M. OH-Stretching Overtone Induced Dynamics in HSO3F from Reactive Molecular Dynamics Simulations. The Journal of Physical Chemistry. A. PMID 28616984 DOI: 10.1021/Acs.Jpca.7B02950  0.816
2017 Mondal P, Meuwly M. Vibrational Stark spectroscopy for assessing ligand-binding strengths in a protein. Physical Chemistry Chemical Physics : Pccp. PMID 28604854 DOI: 10.1039/C7Cp01892D  0.734
2017 Xu ZH, Meuwly M. Vibrational Spectroscopy and Proton Transfer Dynamics in Protonated Oxalate. The Journal of Physical Chemistry. A. PMID 28597659 DOI: 10.1021/Acs.Jpca.7B02234  0.397
2017 Diamantis P, Unke OT, Meuwly M. Migration of small ligands in globins: Xe diffusion in truncated hemoglobin N. Plos Computational Biology. 13: e1005450. PMID 28358830 DOI: 10.1371/Journal.Pcbi.1005450  0.747
2017 Denis-Alpizar O, Bemish RJ, Meuwly M. Communication: Vibrational relaxation of CO((1)Σ) in collision with Ar((1)S) at temperatures relevant to the hypersonic flight regime. The Journal of Chemical Physics. 146: 111102. PMID 28330359 DOI: 10.1063/1.4978498  0.694
2017 Denis-Alpizar O, Bemish RJ, Meuwly M. Reactive collisions for NO((2)Π) + N((4)S) at temperatures relevant to the hypersonic flight regime. Physical Chemistry Chemical Physics : Pccp. PMID 28058419 DOI: 10.1039/C6Cp07142B  0.71
2017 Hédin F, El Hage K, Meuwly M. Correction to A Toolkit to Fit Nonbonded Parameters from and for Condensed Phase Simulations. Journal of Chemical Information and Modeling. PMID 28054774 DOI: 10.1021/Acs.Jcim.6B00777  0.715
2017 Rivero U, Meuwly M, Willitsch S. A computational study of the Diels-Alder reactions between 2,3-dibromo-1,3-butadiene and maleic anhydride Chemical Physics Letters. 683: 598-605. DOI: 10.1016/J.Cplett.2017.03.063  0.301
2017 Weiss MA, Phillips NF, Ismail-Beigi F, Pandyarajan V, Yang Y, Chen Y, Wickramasinghe N, Smith B, Menting JG, Lawrence MC, El-Hage K, Meuwly M. Non-Standard Protein Engineering at the Boundary of Molecular Mechanics and Quantum Chemistry: Halogen-Based Design of Insulin Analogs Biophysical Journal. 112: 53a. DOI: 10.1016/J.Bpj.2016.11.323  0.338
2016 El Hage K, Pandyarajan V, Phillips NB, Smith BJ, Menting JG, Whittaker J, Lawrence MC, Meuwly M, Weiss MA. Extending Halogen-Based Medicinal Chemistry to Proteins: Iodo-Insulin as a Case Study. The Journal of Biological Chemistry. PMID 27875310 DOI: 10.1074/Jbc.M116.761015  0.735
2016 Greif M, Nagy T, Soloviov M, Castiglioni L, Hengsberger M, Meuwly M, Osterwalder J. Erratum: "Following the molecular motion of near-resonant excited CO on Pt(111): A simulated x-ray photoelectron diffraction study based on molecular dynamics calculations" [Struct. Dyn. 2, 035102 (2015)]. Structural Dynamics (Melville, N.Y.). 3: 059901. PMID 27547780 DOI: 10.1063/1.4958888  0.579
2016 Mackeprang K, Xu ZH, Maroun Z, Meuwly M, Kjaergaard HG. Spectroscopy and dynamics of double proton transfer in formic acid dimer. Physical Chemistry Chemical Physics : Pccp. PMID 27545453 DOI: 10.1039/C6Cp03462D  0.375
2016 Das AK, Meuwly M. Empirical Force Fields for Mechanistic Studies of Chemical Reactions in Proteins. Methods in Enzymology. 577: 31-55. PMID 27498633 DOI: 10.1016/Bs.Mie.2016.05.045  0.719
2016 Hédin F, El Hage K, Meuwly M. A Toolkit to Fit Nonbonded Parameters from and for Condensed Phase Simulations. Journal of Chemical Information and Modeling. PMID 27438992 DOI: 10.1021/Acs.Jcim.6B00280  0.766
2016 Soloviov M, Das AK, Meuwly M. Structural Interpretation of Metastable States in Myoglobin-NO. Angewandte Chemie (International Ed. in English). PMID 27410027 DOI: 10.1002/Anie.201604552  0.722
2016 Unke OT, Castro-Palacio JC, Bemish RJ, Meuwly M. Collision-induced rotational excitation in N2 (+)((2)Σg (+),v=0)-Ar: Comparison of computations and experiment. The Journal of Chemical Physics. 144: 224307. PMID 27306007 DOI: 10.1063/1.4951697  0.816
2016 Gupta PK, Meuwly M. Structure and Dynamics of Water/Methanol Mixtures at Hydroxylated Silica Interfaces Relevant to Chromatography. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 27168491 DOI: 10.1002/Cphc.201600180  0.56
2016 El Hage K, Bereau T, Jakobsen S, Meuwly M. Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase Simulations. Journal of Chemical Theory and Computation. PMID 27158892 DOI: 10.1021/Acs.Jctc.6B00202  0.816
2016 MacAleese L, Hermelin S, El Hage K, Chouzenoux P, Kulesza A, Antoine R, Bonacina L, Meuwly M, Wolf JP, Dugourd P. Sequential Proton Coupled Electron Transfer (PCET): Dynamics Observed over 8 Orders of Magnitude in Time. Journal of the American Chemical Society. PMID 26974184 DOI: 10.1021/Jacs.5B12587  0.337
2016 Gupta PK, Meuwly M. Ligand and interfacial dynamics in a homodimeric hemoglobin. Structural Dynamics (Melville, N.Y.). 3: 012003. PMID 26958581 DOI: 10.1063/1.4940228  0.542
2016 Yosa Reyes J, Brickel S, Unke OT, Nagy T, Meuwly M. HSO3Cl: a prototype molecule for studying OH-stretching overtone induced photodissociation. Physical Chemistry Chemical Physics : Pccp. PMID 26878435 DOI: 10.1039/C5Cp07319G  0.81
2016 Soloviov M, Das AK, Meuwly M. Strukturelle Interpretation metastabiler Zustände in Myoglobin-NO Angewandte Chemie. 128: 10280-10285. DOI: 10.1002/Ange.201604552  0.676
2015 Greif M, Nagy T, Soloviov M, Castiglioni L, Hengsberger M, Meuwly M, Osterwalder J. Following the molecular motion of near-resonant excited CO on Pt(111): A simulated x-ray photoelectron diffraction study based on molecular dynamics calculations. Structural Dynamics (Melville, N.Y.). 2: 035102. PMID 26798798 DOI: 10.1063/1.4922611  0.584
2015 Das AK, Solomon RV, Hofmann F, Meuwly M. Inner-Shell Water Rearrangement Following Photo-Excitation of Tris(2,2'-bipyridine)iron(II). The Journal of Physical Chemistry. B. PMID 26651360 DOI: 10.1021/Acs.Jpcb.5B10980  0.724
2015 Jin H, Goyal P, Das AK, Gaus M, Meuwly M, Cui Q. Copper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics Simulations. The Journal of Physical Chemistry. B. PMID 26624804 DOI: 10.1021/Acs.Jpcb.5B09656  0.76
2015 Soloviov M, Meuwly M. Reproducing kernel potential energy surfaces in biomolecular simulations: Nitric oxide binding to myoglobin. The Journal of Chemical Physics. 143: 105103. PMID 26374062 DOI: 10.1063/1.4929527  0.358
2015 Cazade PA, Tran H, Bereau T, Das AK, Kläsi F, Hamm P, Meuwly M. Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study. The Journal of Chemical Physics. 142: 212415. PMID 26049435 DOI: 10.1063/1.4916630  0.817
2015 Howard DL, Kjaergaard HG, Huang J, Meuwly M. Infrared and Near-Infrared Spectroscopy of Acetylacetone and Hexafluoroacetylacetone. The Journal of Physical Chemistry. A. PMID 25894207 DOI: 10.1021/Acs.Jpca.5B01863  0.465
2015 Castro-Palacio JC, Bemish RJ, Meuwly M. Communication: Equilibrium rate coefficients from atomistic simulations: The O((3)P) + NO((2)Π) → O2(X(3)Σg(-)) + N((4)S) reaction at temperatures relevant to the hypersonic flight regime. The Journal of Chemical Physics. 142: 091104. PMID 25747053 DOI: 10.1063/1.4913975  0.667
2015 Jakobsen S, Bereau T, Meuwly M. Multipolar force fields and their effects on solvent dynamics around simple solutes. The Journal of Physical Chemistry. B. 119: 3034-45. PMID 25584801 DOI: 10.1021/Jp508052Q  0.695
2015 Cazade PA, Hédin F, Xu ZH, Meuwly M. Vibrational relaxation and energy migration of N-methylacetamide in water: the role of nonbonded interactions. The Journal of Physical Chemistry. B. 119: 3112-22. PMID 25581333 DOI: 10.1021/Jp511701Z  0.416
2015 Dudev T, Devereux M, Meuwly M, Lim C, Piquemal JP, Gresh N. Quantum-chemistry based calibration of the alkali metal cation series (Li(+)-Cs(+)) for large-scale polarizable molecular mechanics/dynamics simulations. Journal of Computational Chemistry. 36: 285-302. PMID 25545371 DOI: 10.1002/Jcc.23801  0.622
2015 Cazade PA, Berezovska G, Meuwly M. Coupled protein-ligand dynamics in truncated hemoglobin N from atomistic simulations and transition networks. Biochimica Et Biophysica Acta. 1850: 996-1005. PMID 25224733 DOI: 10.1016/J.Bbagen.2014.09.008  0.374
2015 Greif M, Nagy T, Soloviov M, Castiglioni L, Hengsberger M, Meuwly M, Osterwalder J. Following the molecular motion of near-resonant excited CO on Pt(111): A simulated x-ray photoelectron diffraction study based on molecular dynamics calculations Structural Dynamics. 2. DOI: 10.1063/1.4922611  0.529
2015 Jakobsen S, Bereau T, Meuwly M. Multipolar force fields and their effects on solvent dynamics around simple solutes Journal of Physical Chemistry B. 119: 3034-3045. DOI: 10.1021/jp508052q  0.6
2015 Unke OT, Meuwly M. Kernel density estimation-based solution of the nuclear Schrödinger equation Chemical Physics Letters. 639: 52-56. DOI: 10.1016/J.Cplett.2015.08.048  0.718
2014 Hédin F, Plattner N, Doll JD, Meuwly M. Spatial Averaging: Sampling Enhancement for Exploring Configurational Space of Atomic Clusters and Biomolecules. Journal of Chemical Theory and Computation. 10: 4284-96. PMID 26588125 DOI: 10.1021/Ct500529W  0.754
2014 Devereux M, Raghunathan S, Fedorov DG, Meuwly M. A Novel, Computationally Efficient Multipolar Model Employing Distributed Charges for Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 10: 4229-41. PMID 26588121 DOI: 10.1021/Ct500511T  0.401
2014 Nagy T, Yosa Reyes J, Meuwly M. Multisurface Adiabatic Reactive Molecular Dynamics. Journal of Chemical Theory and Computation. 10: 1366-75. PMID 26580356 DOI: 10.1021/Ct400953F  0.633
2014 Meuwly M. Quantitative atomistic simulations of reactive and non-reactive processes. Chimia. 68: 592-5. PMID 25437776 DOI: 10.2533/Chimia.2014.592  0.394
2014 Castro-Palacio JC, Nagy T, Bemish RJ, Meuwly M. Computational study of collisions between O(3P) and NO(2Π) at temperatures relevant to the hypersonic flight regime. The Journal of Chemical Physics. 141: 164319. PMID 25362311 DOI: 10.1063/1.4897263  0.766
2014 Lee MW, Meuwly M. Diffusion of atomic oxygen relevant to water formation in amorphous interstellar ices. Faraday Discussions. 168: 205-22. PMID 25302381 DOI: 10.1039/C3Fd00160A  0.573
2014 Yosa Reyes J, Nagy T, Meuwly M. Competitive reaction pathways in vibrationally induced photodissociation of H2SO4. Physical Chemistry Chemical Physics : Pccp. 16: 18533-44. PMID 25072517 DOI: 10.1039/C4Cp01832J  0.624
2014 Devereux M, Gresh N, Piquemal JP, Meuwly M. A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field. Journal of Computational Chemistry. 35: 1577-91. PMID 24965869 DOI: 10.1002/Jcc.23661  0.56
2014 Schmidt T, Schwede T, Meuwly M. Computational analysis of methyl transfer reactions in dengue virus methyltransferase. The Journal of Physical Chemistry. B. 118: 5882-90. PMID 24809209 DOI: 10.1021/Jp5028564  0.305
2014 Soloviov M, Meuwly M. CO-dynamics in the active site of cytochrome c oxidase Journal of Chemical Physics. 140. PMID 24735320 DOI: 10.1063/1.4870264  0.347
2014 Cazade PA, Bereau T, Meuwly M. Computational two-dimensional infrared spectroscopy without maps: N-methylacetamide in water. The Journal of Physical Chemistry. B. 118: 8135-47. PMID 24684636 DOI: 10.1021/Jp5011692  0.666
2014 Plattner N, Meuwly M. The effect of classical and quantum dynamics on vibrational frequency shifts of H2 in clathrate hydrates. The Journal of Chemical Physics. 140: 024311. PMID 24437881 DOI: 10.1063/1.4859856  0.753
2014 Huang J, Buchowiecki M, Nagy T, Vaní?ek J, Meuwly M. Kinetic isotope effect in malonaldehyde determined from path integral Monte Carlo simulations. Physical Chemistry Chemical Physics : Pccp. 16: 204-11. PMID 24233185 DOI: 10.1039/C3Cp53698J  0.633
2014 Hofmann FD, Devereux M, Pfaltz A, Meuwly M. Toward force fields for atomistic simulations of iridium-containing complexes. Journal of Computational Chemistry. 35: 18-29. PMID 24155105 DOI: 10.1002/Jcc.23460  0.348
2014 Plattner N, Meuwly M. The effect of classical and quantum dynamics on vibrational frequency shifts of H2 in clathrate hydrates Journal of Chemical Physics. 140. DOI: 10.1063/1.4859856  0.715
2014 Lee MW, Meuwly M. Diffusion of atomic oxygen relevant to water formation in amorphous interstellar ices Faraday Discussions. 168: 205-222. DOI: 10.1039/c3fd00160a  0.442
2014 Cazade PA, Bereau T, Meuwly M. Computational two-dimensional infrared spectroscopy without maps: N-methylacetamide in water Journal of Physical Chemistry B. 118: 8135-8147. DOI: 10.1021/jp5011692  0.576
2014 Hédin F, Plattner N, Doll JD, Meuwly M. Spatial averaging: Sampling enhancement for exploring configurational space of atomic clusters and biomolecules Journal of Chemical Theory and Computation. 10: 4284-4296. DOI: 10.1021/ct500529w  0.685
2014 Nagy T, Yosa Reyes J, Meuwly M. Multisurface adiabatic reactive molecular dynamics Journal of Chemical Theory and Computation. 10: 1366-1375. DOI: 10.1021/ct400953f  0.539
2013 Plattner N, Doll JD, Meuwly M. Overcoming the Rare Event Sampling Problem in Biological Systems with Infinite Swapping. Journal of Chemical Theory and Computation. 9: 4215-24. PMID 26592410 DOI: 10.1021/Ct400355G  0.709
2013 Bereau T, Kramer C, Meuwly M. Leveraging Symmetries of Static Atomic Multipole Electrostatics in Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 9: 5450-9. PMID 26592281 DOI: 10.1021/Ct400803F  0.761
2013 Kramer C, Gedeck P, Meuwly M. Multipole-Based Force Fields from ab Initio Interaction Energies and the Need for Jointly Refitting All Intermolecular Parameters. Journal of Chemical Theory and Computation. 9: 1499-511. PMID 26587612 DOI: 10.1021/Ct300888F  0.615
2013 Schmid MH, Ward TR, Meuwly M. Toward a Broadly Applicable Force Field for d(6)-Piano Stool Complexes. Journal of Chemical Theory and Computation. 9: 2313-23. PMID 26583724 DOI: 10.1021/Ct301080D  0.367
2013 Gupta PK, Meuwly M. Dynamics and vibrational spectroscopy of water at hydroxylated silica surfaces Faraday Discussions. 167: 329-346. PMID 24640499 DOI: 10.1039/C3Fd00096F  0.558
2013 Kramer C, Bereau T, Spinn A, Liedl KR, Gedeck P, Meuwly M. Deriving static atomic multipoles from the electrostatic potential Journal of Chemical Information and Modeling. 53: 3410-3417. PMID 24303949 DOI: 10.1021/Ci400548W  0.73
2013 Lee MW, Meuwly M. Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields. Physical Chemistry Chemical Physics : Pccp. 15: 20303-12. PMID 24170171 DOI: 10.1039/C3Cp52713A  0.617
2013 Gellrich U, Himmel D, Meuwly M, Breit B. Realistic energy surfaces for real-world systems: an IMOMO CCSD(T):DFT scheme for rhodium-catalyzed hydroformylation with the 6-DPPon ligand. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 16272-81. PMID 24127405 DOI: 10.1002/Chem.201302132  0.361
2013 Lee MW, Carr JK, Göllner M, Hamm P, Meuwly M. 2D IR spectra of cyanide in water investigated by molecular dynamics simulations. The Journal of Chemical Physics. 139: 054506. PMID 23927269 DOI: 10.1063/1.4815969  0.6
2013 Bereau T, Kramer C, Monnard FW, Nogueira ES, Ward TR, Meuwly M. Scoring multipole electrostatics in condensed-phase atomistic simulations. The Journal of Physical Chemistry. B. 117: 5460-71. PMID 23560873 DOI: 10.1021/Jp400593C  0.757
2013 Szymczak JJ, Hofmann FD, Meuwly M. Structure and dynamics of solvent shells around photoexcited metal complexes Physical Chemistry Chemical Physics. 15: 6268-6277. PMID 23518618 DOI: 10.1039/C3Cp44465A  0.423
2013 Nienhaus K, Lutz S, Meuwly M, Nienhaus GU. Reaction-pathway selection in the structural dynamics of a heme protein Chemistry - a European Journal. 19: 3558-3562. PMID 23401035 DOI: 10.1002/Chem.201203558  0.358
2013 Lee MW, Meuwly M. Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields Physical Chemistry Chemical Physics. 15: 20303-20312. DOI: 10.1039/c3cp52713a  0.537
2013 Bereau T, Kramer C, Monnard FW, Nogueira ES, Ward TR, Meuwly M. Scoring multipole electrostatics in condensed-phase atomistic simulations Journal of Physical Chemistry B. 117: 5460-5471. DOI: 10.1021/jp400593c  0.701
2013 Bereau T, Kramer C, Meuwly M. Leveraging symmetries of static atomic multipole electrostatics in molecular dynamics simulations Journal of Chemical Theory and Computation. 9: 5450-5459. DOI: 10.1021/ct400803f  0.736
2013 Plattner N, Doll JD, Meuwly M. Overcoming the rare event sampling problem in biological systems with infinite swapping Journal of Chemical Theory and Computation. 9: 4215-4224. DOI: 10.1021/ct400355g  0.672
2013 Kramer C, Gedeck P, Meuwly M. Multipole-based force fields from ab initio interaction energies and the need for jointly refitting all intermolecular parameters Journal of Chemical Theory and Computation. 9: 1499-1511. DOI: 10.1021/ct300888f  0.529
2012 Cazade PA, Meuwly M. Oxygen migration pathways in NO-bound truncated hemoglobin Chemphyschem. 13: 4276-4286. PMID 23161831 DOI: 10.1002/Cphc.201200608  0.316
2012 Huang J, Häussinger D, Gellrich U, Seiche W, Breit B, Meuwly M. Hydrogen-bond and solvent dynamics in transition metal complexes: A combined simulation and NMR-investigation Journal of Physical Chemistry B. 116: 14406-14415. PMID 23127212 DOI: 10.1021/Jp309412R  0.421
2012 Lee MW, Plattner N, Meuwly M. Structure, spectroscopy and dynamics of layered H2O and CO 2 ices Physical Chemistry Chemical Physics. 14: 15464-15474. PMID 23072896 DOI: 10.1039/C2Cp41904A  0.797
2012 Gupta PK, Meuwly M. Dynamics of water/methanol mixtures at functionalized chromatographic interfaces. The Journal of Physical Chemistry. B. 116: 10951-9. PMID 22839971 DOI: 10.1021/Jp305351F  0.559
2012 Yang Y, Liu X, Meuwly M, Xiao L, Jia S. Harmonic bath averaged Hamiltonian: an efficient tool to capture quantum effects of large systems. The Journal of Physical Chemistry. A. 116: 11134-9. PMID 22838962 DOI: 10.1021/Jp304498H  0.321
2012 Kramer C, Gedeck P, Meuwly M. Atomic multipoles: Electrostatic potential fit, local reference axis systems, and conformational dependence Journal of Computational Chemistry. 33: 1673-1688. PMID 22544510 DOI: 10.1002/Jcc.22996  0.609
2012 Lee MW, Meuwly M. Molecular dynamics simulation of nitric oxide in myoglobin. The Journal of Physical Chemistry. B. 116: 4154-62. PMID 22420848 DOI: 10.1021/Jp212112F  0.616
2012 Plattner N, Meuwly M. Quantifying the importance of protein conformation on ligand migration in myoglobin Biophysical Journal. 102: 333-341. PMID 22339870 DOI: 10.1016/J.Bpj.2011.10.058  0.737
2012 Meuwly M. Reaction dynamics: rules change with molecular size. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 684-5. PMID 22253251 DOI: 10.1002/Cphc.201100936  0.355
2012 Lutz S, Meuwly M. Photodissociation dynamics of ClCN at different wavelengths. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 305-13. PMID 22069242 DOI: 10.1002/Cphc.201100575  0.398
2012 Helbing J, Devereux M, Nienhaus K, Nienhaus GU, Hamm P, Meuwly M. Temperature dependence of the heat diffusivity of proteins. The Journal of Physical Chemistry. A. 116: 2620-8. PMID 22047554 DOI: 10.1021/Jp2061877  0.355
2012 Cazade PA, Huang J, Yosa J, Szymczak JJ, Meuwly M. Atomistic simulations of reactive processes in the gas- and condensed-phase International Reviews in Physical Chemistry. 31: 235-264. DOI: 10.1080/0144235X.2012.694694  0.418
2012 Schmid M, Nogueira ES, Monnard FW, Ward TR, Meuwly M. Arylsulfonamides as inhibitors for carbonic anhydrase: Prediction & validation Chemical Science. 3: 690-700. DOI: 10.1039/C1Sc00628B  0.329
2012 Gupta PK, Meuwly M. Dynamics of water/methanol mixtures at functionalized chromatographic interfaces Journal of Physical Chemistry B. 116: 10951-10959. DOI: 10.1021/jp305351f  0.445
2012 Lee MW, Meuwly M. Molecular dynamics simulation of nitric oxide in myoglobin Journal of Physical Chemistry B. 116: 4154-4162. DOI: 10.1021/jp212112f  0.503
2012 Tong X, Nagy T, Reyes JY, Germann M, Meuwly M, Willitsch S. State-selected ion-molecule reactions with Coulomb-crystallized molecular ions in traps Chemical Physics Letters. 547: 1-8. DOI: 10.1016/J.Cplett.2012.06.042  0.571
2012 Meuwly M, Cui Q. Protein functional dynamics: From femtoseconds to milliseconds Chemical Physics. 396: 1-2. DOI: 10.1016/J.Chemphys.2011.09.021  0.469
2012 Huang J, Meuwly M. Force field refinement from NMR scalar couplings Chemical Physics. 396: 116-123. DOI: 10.1016/J.Chemphys.2011.09.016  0.427
2011 Lutz S, Meuwly M. Structural characterization of spectroscopic substates in carbonmonoxy neuroglobin Faraday Discussions. 150: 375-390. PMID 22457958 DOI: 10.1039/C0Fd00003E  0.356
2011 Yosa J, Meuwly M. Vibrationally induced dissociation of sulfuric acid (H2SO4). The Journal of Physical Chemistry. A. 115: 14350-60. PMID 22054123 DOI: 10.1021/Jp208161Y  0.434
2011 Cazade PA, Lutz S, Lee MW, Meuwly M. Computational spectroscopy and reaction dynamics Chimia. 65: 326-329. PMID 21744686 DOI: 10.2533/Chimia.2011.326  0.607
2011 Lee MW, Meuwly M. On the role of nonbonded interactions in vibrational energy relaxation of cyanide in water. The Journal of Physical Chemistry. A. 115: 5053-61. PMID 21542619 DOI: 10.1021/Jp202503M  0.604
2011 Lutz S, Tubert-Brohman I, Yang Y, Meuwly M. Water-assisted proton transfer in ferredoxin I Journal of Biological Chemistry. 286: 23679-23687. PMID 21531725 DOI: 10.1074/Jbc.M111.230003  0.337
2011 Zhang L, Meuwly M. Stability and dynamics of cyclic diguanylic acid in solution Chemphyschem. 12: 295-302. PMID 21275021 DOI: 10.1002/Cphc.201000692  0.345
2011 Gellrich U, Huang J, Seiche W, Keller M, Meuwly M, Breit B. Ligand self-assembling through complementary hydrogen-bonding in the coordination sphere of a transition metal center: the 6-diphenylphosphanylpyridin-2(1H)-one system. Journal of the American Chemical Society. 133: 964-75. PMID 21142007 DOI: 10.1021/Ja108639E  0.394
2011 Lee MW, Meuwly M. On the role of nonbonded interactions in vibrational energy relaxation of cyanide in water Journal of Physical Chemistry A. 115: 5053-5061. DOI: 10.1021/jp202503m  0.494
2010 Huang J, Meuwly M. Explicit Hydrogen-Bond Potentials and Their Application to NMR Scalar Couplings in Proteins. Journal of Chemical Theory and Computation. 6: 467-76. PMID 26617302 DOI: 10.1021/Ct9005695  0.4
2010 Plattner N, Lee MW, Meuwly M. Structural and spectroscopic characterization of mixed planetary ices. Faraday Discussions. 147: 217-30; discussion 2. PMID 21302549 DOI: 10.1039/C003487H  0.778
2010 Meuwly M. Theoretical and computational chemistry Chimia. 64: 867-870. PMID 21268994 DOI: 10.2533/Chimia.2010.867  0.327
2010 Mishra S, Meuwly M. Quantitative analysis of ligand migration from transition networks Biophysical Journal. 99: 3969-3978. PMID 21156139 DOI: 10.1016/J.Bpj.2010.09.068  0.654
2010 Orzechowski M, Meuwly M. Dynamics of water filaments in disordered environments. The Journal of Physical Chemistry. B. 114: 12203-12. PMID 20812707 DOI: 10.1021/Jp1051003  0.357
2010 Yang Y, Meuwly M. A generalized reactive force field for nonlinear hydrogen bonds: Hydrogen dynamics and transfer in malonaldehyde Journal of Chemical Physics. 133. PMID 20707571 DOI: 10.1063/1.3447701  0.405
2010 Plattner N, Doll JD, Meuwly M. Spatial averaging for small molecule diffusion in condensed phase environments. The Journal of Chemical Physics. 133: 044506. PMID 20687662 DOI: 10.1063/1.3458639  0.749
2010 Meuwly M, Doll JD. Finite-temperature quantum simulations of mixed rare gas clusters. The Journal of Chemical Physics. 132: 234315. PMID 20572713 DOI: 10.1063/1.3431080  0.338
2010 Devereux M, Meuwly M. Force field optimization using dynamics and ensemble averaged data: vibrational spectra and relaxation in bound MbCO. Journal of Chemical Information and Modeling. 50: 349-57. PMID 20146509 DOI: 10.1021/Ci9004404  0.395
2010 Mishra S, Meuwly M. Atomistic simulation of NO dioxygenation in group I truncated hemoglobin Journal of the American Chemical Society. 132: 2968-2982. PMID 20146499 DOI: 10.1021/Ja9078144  0.673
2010 Nienhaus K, Lutz S, Meuwly M, Nienhaus GU. Structural identification of spectroscopic substates in neuroglobin. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 11: 119-29. PMID 19960556 DOI: 10.1002/Cphc.200900637  0.357
2010 Plattner N, Lee MW, Meuwly M. Structural and spectroscopic characterization of mixed planetary ices Faraday Discussions. 147: 217-230. DOI: 10.1039/c003487h  0.729
2009 Tubert-Brohman I, Schmid M, Meuwly M. Molecular Mechanics Force Field for Octahedral Organometallic Compounds with Inclusion of the Trans Influence. Journal of Chemical Theory and Computation. 5: 530-539. PMID 26610220 DOI: 10.1021/Ct800392N  0.324
2009 Lutz S, Nienhaus K, Nienhaus GU, Meuwly M. Ligand migration between internal docking sites in photodissociated carbonmonoxy neuroglobin. The Journal of Physical Chemistry. B. 113: 15334-43. PMID 19852453 DOI: 10.1021/Jp905673P  0.328
2009 Devereux M, Meuwly M. Anharmonic coupling in molecular dynamics simulations of ligand vibrational relaxation in bound carbonmonoxy myoglobin. The Journal of Physical Chemistry. B. 113: 13061-70. PMID 19725512 DOI: 10.1021/Jp903741V  0.417
2009 Devereux M, Plattner N, Meuwly M. Application of multipolar charge models and molecular dynamics simulations to study stark shifts in inhomogeneous electric fields Journal of Physical Chemistry A. 113: 13199-13209. PMID 19681623 DOI: 10.1021/Jp903954T  0.755
2009 Devereux M, Meuwly M. Structural assignment of spectra by characterization of conformational substates in bound MbCO. Biophysical Journal. 96: 4363-75. PMID 19486661 DOI: 10.1016/J.Bpj.2009.01.064  0.426
2009 Mishra S, Meuwly M. Nitric oxide dynamics in truncated hemoglobin: docking sites, migration pathways, and vibrational spectroscopy from molecular dynamics simulations. Biophysical Journal. 96: 2105-18. PMID 19289037 DOI: 10.1016/J.Bpj.2008.11.066  0.685
2009 Plattner N, Meuwly M. Higher order multipole moments for molecular dynamics simulations Journal of Molecular Modeling. 15: 687-694. PMID 19263099 DOI: 10.1007/S00894-009-0465-6  0.751
2009 Buffa G, Dore L, Meuwly M. State-to-state rotational transition rates of the HCO+ ion by collisions with helium Monthly Notices of the Royal Astronomical Society. 397: 1909-1914. DOI: 10.1111/J.1365-2966.2009.14890.X  0.337
2009 Doll JD, Gubernatis JE, Plattner N, Meuwly M, Dupuis P, Wang H. A spatial averaging approach to rare-event sampling Journal of Chemical Physics. 131. DOI: 10.1063/1.3220629  0.705
2008 Danielsson J, Meuwly M. Atomistic Simulation of Adiabatic Reactive Processes Based on Multi-State Potential Energy Surfaces. Journal of Chemical Theory and Computation. 4: 1083-93. PMID 26636362 DOI: 10.1021/Ct800066Q  0.46
2008 Schmid FF, Meuwly M. Direct Comparison of Experimental and Calculated NMR Scalar Coupling Constants for Force Field Validation and Adaptation. Journal of Chemical Theory and Computation. 4: 1949-58. PMID 26620337 DOI: 10.1021/Ct800241D  0.347
2008 Buffa G, Dore L, Tinti F, Meuwly M. Experimental and theoretical study of helium broadening and shift of HCO+ rotational lines. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 9: 2237-44. PMID 18814169 DOI: 10.1002/Cphc.200800369  0.317
2008 Braun J, Fouqueau A, Bemish RJ, Meuwly M. Solvent structures of mixed water/acetonitrile mixtures at chromatographic interfaces from computer simulations. Physical Chemistry Chemical Physics : Pccp. 10: 4765-77. PMID 18688519 DOI: 10.1039/B807492E  0.689
2008 Plattner N, Meuwly M. Atomistic simulations of CO vibrations in ices relevant to astrochemistry Chemphyschem. 9: 1271-1277. PMID 18478513 DOI: 10.1002/Cphc.200800030  0.758
2008 Sabo D, Meuwly M, Freeman DL, Doll JD. A constant entropy increase model for the selection of parallel tempering ensembles. The Journal of Chemical Physics. 128: 174109. PMID 18465912 DOI: 10.1063/1.2907846  0.57
2008 Plattner N, Meuwly M. The role of higher CO-multipole moments in understanding the dynamics of photodissociated carbonmonoxide in myoglobin Biophysical Journal. 94: 2505-2515. PMID 18178640 DOI: 10.1529/Biophysj.107.120519  0.746
2008 Lammers S, Lutz S, Meuwly M. Reactive force fields for proton transfer dynamics Journal of Computational Chemistry. 29: 1048-1063. PMID 18072179 DOI: 10.1002/Jcc.20864  0.393
2008 Plattner N, Bandi T, Doll JD, Freeman DL, Meuwly M. MD simulations using distributed multipole electrostatics: Structural and spectroscopic properties of CO- and methane-containing clathrates Molecular Physics. 106: 1675-1684. DOI: 10.1080/00268970802314394  0.805
2008 Braun J, Fouqueau A, Bemish RJ, Meuwly M. Solvent structures of mixed water/acetonitrile mixtures at chromatographic interfaces from computer simulations Physical Chemistry Chemical Physics. 10: 4765-4777. DOI: 10.1039/b807492e  0.641
2007 Schmid FFF, Meuwly M. All-atom Simulations of Structures and Energetics of c-di-GMP-bound and free PleD Journal of Molecular Biology. 374: 1270-1285. PMID 17988687 DOI: 10.1016/J.Jmb.2007.09.068  0.335
2007 Banushkina P, Meuwly M. Diffusive dynamics on multidimensional rough free energy surfaces Journal of Chemical Physics. 127. PMID 17919054 DOI: 10.1063/1.2775444  0.4
2007 Fouqueau A, Meuwly M, Bemish RJ. Adsorption of acridine orange at a C8,18/water/acetonitrile interface. The Journal of Physical Chemistry. B. 111: 10208-16. PMID 17685640 DOI: 10.1021/Jp071721O  0.684
2007 Danielsson J, Meuwly M. Molecular dynamics simulations of CN- dynamics and spectroscopy in myoglobin Chemphyschem. 8: 1077-1084. PMID 17436348 DOI: 10.1002/Cphc.200700042  0.382
2007 Nutt DR, Meuwly M. Ferric and ferrous iron in nitroso-myoglobin: Computer simulations of stable and metastable states and their infrared spectra Chemphyschem. 8: 527-536. PMID 17330815 DOI: 10.1002/Cphc.200600563  0.494
2007 Lammers S, Meuwly M. Investigating the relationship between infrared spectra of shared protons in different chemical environments: A comparison of protonated diglyme and protonated water dimer Journal of Physical Chemistry A. 111: 1638-1647. PMID 17295453 DOI: 10.1021/Jp065323H  0.435
2007 Danielsson J, Meuwly M. Energetics and dynamics in MbCN: CN--vibrational relaxation from molecular dynamics simulations. The Journal of Physical Chemistry. B. 111: 218-26. PMID 17201446 DOI: 10.1021/Jp0662698  0.426
2007 Meuwly M. Using small molecules to probe protein cavities: The myoglobin-XO (X = C, N) family of systems European Physical Journal: Special Topics. 141: 209-216. DOI: 10.1140/Epjst/E2007-00042-X  0.426
2007 Fouqueau A, Meuwly M, Bemish RJ. Adsorption of acridine orange at a C8,18/water/acetonitrile interface Journal of Physical Chemistry B. 111: 10208-10216. DOI: 10.1021/jp071721o  0.592
2006 Zoete V, Meuwly M. Importance of individual side chains for the stability of a protein fold: computational alanine scanning of the insulin monomer. Journal of Computational Chemistry. 27: 1843-57. PMID 16981237 DOI: 10.1002/Jcc.20512  0.313
2006 Thorsteinsdottir HB, Schwede T, Zoete V, Meuwly M. How inaccuracies in protein structure models affect estimates of protein-ligand interactions: computational analysis of HIV-I protease inhibitor binding. Proteins. 65: 407-23. PMID 16941468 DOI: 10.1002/Prot.21096  0.313
2006 Buffa G, Dore L, Tinti F, Meuwly M. New experimental and theoretical results for argon broadening and shift of HCO+ rotational lines. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 1764-9. PMID 16832803 DOI: 10.1002/Cphc.200600166  0.306
2006 Nutt DR, Meuwly M. Studying reactive processes with classical dynamics: rebinding dynamics in MbNO. Biophysical Journal. 90: 1191-201. PMID 16326913 DOI: 10.1529/Biophysj.105.071522  0.573
2006 Danielsson J, Banushkina P, Nutt DR, Meuwly M. Computer simulations of structures, energetics and dynamics of myoglobin⋯ligand complexes International Reviews in Physical Chemistry. 25: 407-425. DOI: 10.1080/01442350600798253  0.574
2005 Banushkina P, Meuwly M. Hierarchical Numerical Solution of Smoluchowski Equations with Rough Potentials. Journal of Chemical Theory and Computation. 1: 208-14. PMID 26641291 DOI: 10.1021/Ct0499480  0.302
2005 Nutt DR, Karplus M, Meuwly M. Potential energy surface and molecular dynamics of MbNO: existence of an unsuspected FeON minimum. The Journal of Physical Chemistry. B. 109: 21118-25. PMID 16853735 DOI: 10.1021/Jp0523975  0.626
2005 Banushkina P, Meuwly M. Free-energy barriers in MbCO rebinding. The Journal of Physical Chemistry. B. 109: 16911-7. PMID 16853152 DOI: 10.1021/Jp051938N  0.399
2005 Fouqueau A, Meuwly M. Structures and dynamics of protonated ammonia clusters. The Journal of Chemical Physics. 123: 244308. PMID 16396538 DOI: 10.1063/1.2128669  0.342
2005 Zoete V, Meuwly M, Karplus M. Study of the insulin dimerization: binding free energy calculations and per-residue free energy decomposition. Proteins. 61: 79-93. PMID 16080143 DOI: 10.1002/Prot.20528  0.49
2005 Nutt DR, Banushkina P, Meuwly M. Computational chemistry for elucidating protein function: Energetics and dynamics of myoglobin-ligand systems Chimia. 59: 517-521. DOI: 10.2533/000942905777676047  0.422
2005 Nutt DR, Banushkina P, Meuwly M. Computational Chemistry for Elucidating Protein Function: Energetics and Dynamics of Myoglobin–Ligand Systems Chimia International Journal For Chemistry. 59: 517-521. DOI: 10.2533/000942905777676047  0.414
2005 Daniel F, Dubernet ML, Meuwly M, Cernicharo J, Pagani L. Collisional excitation rate coefficients of N2H+ by He Monthly Notices of the Royal Astronomical Society. 363: 1083-1091. DOI: 10.1111/J.1365-2966.2005.09542.X  0.334
2005 Meuwly M. Reactions in complex biologically relevant systems: Challenges for computational approaches Future Generation Computer Systems. 21: 1285-1297. DOI: 10.1016/J.Future.2004.09.004  0.38
2005 Banushkina P, Schenk O, Meuwly M. Efficiency considerations in solving Smoluchowski equations for rough potentials Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 3695: 208-216. DOI: 10.1007/11560500_19  0.316
2005 Ladinig M, Leupin W, Meuwly M, Respondek M, Wirz J, Zoete V. Protonation equilibria of Hoechst 33258 in aqueous solution Helvetica Chimica Acta. 88: 53-67. DOI: 10.1002/Hlca.200490296  0.311
2004 Nutt DR, Meuwly M. Ligand dynamics in myoglobin: calculation of infrared spectra for photodissociated NO. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 5: 1710-8. PMID 15580931 DOI: 10.1002/Cphc.200400220  0.536
2004 Mazet C, Smidt SP, Meuwly M, Pfaltz A. A combined experimental and computational study of dihydrido(phosphinooxazoline)iridium complexes. Journal of the American Chemical Society. 126: 14176-81. PMID 15506783 DOI: 10.1021/Ja046318Z  0.32
2004 Zoete V, Meuwly M, Karplus M. A comparison of the dynamic behavior of monomeric and dimeric insulin shows structural rearrangements in the active monomer. Journal of Molecular Biology. 342: 913-29. PMID 15342246 DOI: 10.1016/J.Jmb.2004.07.033  0.46
2004 Zoete V, Meuwly M. Double proton transfer in the isolated and DNA-embedded guanine-cytosine base pair. The Journal of Chemical Physics. 121: 4377-88. PMID 15332989 DOI: 10.1063/1.1774152  0.346
2004 Daniel F, Dubernet ML, Meuwly M. Selective hyperfine excitation of N2H+ by He: potential energy surface, cross sections, and propensity rules. The Journal of Chemical Physics. 121: 4540-9. PMID 15332884 DOI: 10.1063/1.1774978  0.311
2004 Zoete V, Meuwly M. On the influence of semirigid environments on proton transfer along molecular chains. The Journal of Chemical Physics. 120: 7085-94. PMID 15267612 DOI: 10.1063/1.1643721  0.364
2004 Zoete V, Meuwly M, Karplus M. Investigation of glucose binding sites on insulin. Proteins. 55: 568-81. PMID 15103621 DOI: 10.1002/Prot.20071  0.476
2004 Nutt DR, Meuwly M. CO migration in native and mutant myoglobin: atomistic simulations for the understanding of protein function. Proceedings of the National Academy of Sciences of the United States of America. 101: 5998-6002. PMID 15067128 DOI: 10.1073/Pnas.0306712101  0.565
2004 Meuwly M, Karplus M. Theoretical investigations on Azotobacter vinelandii ferredoxin I: effects of electron transfer on protein dynamics. Biophysical Journal. 86: 1987-2007. PMID 15041642 DOI: 10.1016/S0006-3495(04)74261-7  0.493
2004 Lammers S, Meuwly M. Double proton transfer using dissociable force fields Australian Journal of Chemistry. 57: 1223-1228. DOI: 10.1071/Ch04164  0.386
2003 Nutt DR, Meuwly M. Theoretical investigation of infrared spectra and pocket dynamics of photodissociated carbonmonoxy myoglobin. Biophysical Journal. 85: 3612-23. PMID 14645054 DOI: 10.1016/S0006-3495(03)74779-1  0.572
2003 Meuwly M, Karplus M. Theoretical investigations of Ferredoxin I: the possible role of internal water molecules on the coupled electron proton transfer reaction. Faraday Discussions. 124: 297-313; discussion . PMID 14527222 DOI: 10.1039/B211407K  0.495
2003 Meuwly M, Hutson JM. Potential energy surfaces and bound states for the open-shell van der Waals cluster Br-HF Journal of Chemical Physics. 119: 8873-8881. DOI: 10.1063/1.1615238  0.584
2003 Meuwly M, Müller A, Leutwyler S. Energetics, dynamics and infrared spectra of the DNA base-pair analogue 2-pyridone · 2-hydroxypyridine Physical Chemistry Chemical Physics. 5: 2663-2672. DOI: 10.1039/B212732F  0.436
2002 Meuwly M, Becker OM, Stote R, Karplus M. NO rebinding to myoglobin: a reactive molecular dynamics study. Biophysical Chemistry. 98: 183-207. PMID 12128198 DOI: 10.1016/S0301-4622(02)00093-5  0.751
2002 Meuwly M, Doll JD. Dynamical studies of mixed rare-gas clusters: Collision-induced absorption in(Ne)n−(Ar)m(n+m<~100) Physical Review A. 66. DOI: 10.1103/Physreva.66.023202  0.311
2002 Meuwly M, Peter Wolynec P, Bieske EJ. Potential energy surface and lower bound states of HCCH-Cl- Journal of Chemical Physics. 116: 4948-4954. DOI: 10.1063/1.1449870  0.618
2002 Meuwly M, Karplus M. Simulation of proton transfer along ammonia wires: An "ab initio" and semiempirical density functional comparison of potentials and classical molecular dynamics Journal of Chemical Physics. 116: 2572-2585. DOI: 10.1063/1.1431285  0.541
2000 Connelly JP, Meuwly M, Auty AR, Howard BJ. The Dynamics of N(2)-O(3) and N(2)-SO(2) Probed by Microwave Spectroscopy. Journal of Molecular Spectroscopy. 199: 205-216. PMID 10637105 DOI: 10.1006/Jmsp.1999.8020  0.543
2000 Lakin NM, Dopfer O, Meuwly M, Howard BJ. The intermolecular potential of NH4 +-Ar I. Calculations for the internal rotor structure of the ν3 band Molecular Physics. 98: 63-79. DOI: 10.1080/002689700162757  0.463
2000 LAKIN NM, DOPFER O, MEUWLY M, HOWARD BJ, MAIER JP. The intermolecular potential of NH+4-Ar I. Calculations for the internal rotor structure of thev3band Molecular Physics. 98: 63-79. DOI: 10.1080/00268970009483270  0.723
2000 Meuwly M, Hutson JM. Intermolecular potential energy surfaces and bound states in F-HF Journal of Chemical Physics. 112: 592-600. DOI: 10.1063/1.480552  0.571
2000 Meuwly M, Hutson JM. Intermolecular potential energy surfaces and bound states in F–HF The Journal of Chemical Physics. 112: 592-600. DOI: 10.1063/1.480552  0.497
2000 Meuwly M, Hutson JM. Potential energy surfaces and properties of the Br-HBr complex Physical Chemistry Chemical Physics. 2: 441-446. DOI: 10.1039/A907611E  0.59
2000 Meuwly M, Wright NJ. The potential energy surface and Ro-vibrational states of He-CH+ Journal of Physical Chemistry A. 104: 1271-1277. DOI: 10.1021/Jp9928107  0.326
2000 Connelly JP, Meuwly M, Auty AR, Howard BJ. The Dynamics of N2-O3 and N2-SO2 Probed by Microwave Spectroscopy Journal of Molecular Spectroscopy. 199: 205-216.  0.469
1999 Meuwly M. Structures and energetics of Nen–HN2+ clusters Journal of Chemical Physics. 111: 2633-2640. DOI: 10.1063/1.479538  0.374
1999 Meuwly M. Morphing ab initio potentials: A systematic study of Ne-HF Journal of Chemical Physics. 110: 8338-8347. DOI: 10.1063/1.478744  0.339
1999 Meuwly M, Hutson JM. Morphing ab initio potentials: A systematic study of Ne–HF The Journal of Chemical Physics. 110: 8338-8347. DOI: 10.1063/1.478744  0.493
1999 Meuwly M. The potential energy surface and rovibrational states of He-HCO+ Journal of Chemical Physics. 110: 4347-4353. DOI: 10.1063/1.478316  0.352
1999 Meuwly M, Hutson JM. The potential energy surface and near-dissociation states of He-H2+ The Journal of Chemical Physics. 110: 3418-3427. DOI: 10.1063/1.478208  0.57
1999 Meuwly M, Hutson JM. Predictions of microwave and far-infrared transitions in He-H+ 2 Monthly Notices of the Royal Astronomical Society. 302: 790-792. DOI: 10.1046/J.1365-8711.1999.02187.X  0.553
1999 Meuwly M, Hutson JM. Predictions of microwave and far-infrared transitions in He-H+2 Monthly Notices of the Royal Astronomical Society. 302: 790-792. DOI: 10.1046/J.1365-8711.1999.02187.X  0.44
1998 Meuwly M, Maier JP, Rosmus P. Vibrational states in the electronic ground state of the OH+-He and OH+-Ne complexes Journal of Chemical Physics. 109: 3850-3855. DOI: 10.1063/1.476985  0.525
1998 Nizkorodov SA, Meuwly M, Maier JP, Dopfer O, Bieske EJ. Infrared predissociation spectra of Nen–HN2+ clusters (n=1–5) The Journal of Chemical Physics. 108: 8964-8975. DOI: 10.1063/1.476342  0.788
1998 Nizkorodov SA, Meuwly M, Maier JP, Dopfer O, Bieske EJ. Infrared predissociation spectra of Nen-HN2 + clusters (n=1-5) Journal of Chemical Physics. 108: 8964-8975.  0.465
1997 Meuwly M, Bemish RJ. The N2H+-He intermolecular potential energy surface: A vibrational adiabatic correction Journal of Chemical Physics. 106: 8672-8680. DOI: 10.1063/1.473960  0.7
1997 Dopfer O, Nizkorodov SA, Meuwly M, Bieske EJ, Maier JP. Microsolvation of the ammonium ion in argon: infrared spectra of NH4+Arn complexes (n = 1–7) International Journal of Mass Spectrometry and Ion Processes. 637-647. DOI: 10.1016/S0168-1176(97)00111-0  0.721
1997 Meuwly M, Nizkorodov SA, Bieske EJ, Maier JP, Dopfer O. Reply to the comment on “The ν3 infrared spectrum of the HeNH4+ complex” Chemical Physics Letters. 270: 252-254. DOI: 10.1016/S0009-2614(97)00346-1  0.782
1997 Dopfer O, Nizkorodov SA, Meuwly M, Bieske EJ, Maier JP. Microsolvation of the ammonium ion in argon: Infrared spectra of NH+ 4-Arn complexes (n = 1-7) International Journal of Mass Spectrometry and Ion Processes. 167: 637-647.  0.608
1996 Nizkorodov SA, Dopfer O, Meuwly M, Maier JP, Bieske EJ. Mid‐infrared spectra of the proton‐bound complexes Nen–HCO+ (n=1,2) The Journal of Chemical Physics. 105: 1770-1777. DOI: 10.1063/1.472052  0.756
1996 Meuwly M, Nizkorodov SA, Maier JP, Bieske EJ. Mid‐infrared spectra of He–HN+2and He2–HN+2 The Journal of Chemical Physics. 104: 3876-3885. DOI: 10.1063/1.471244  0.734
1996 Dopfer O, Nizkorodov S, Meuwly M, Bieske E, Maier J. The ν3 infrared spectrum of the HeNH4+ complex Chemical Physics Letters. 260: 545-550. DOI: 10.1016/0009-2614(96)00919-0  0.773
1996 Meuwly M, Nizkorodov SA, Maier JP, Bieske EJ. Mid-infrared spectra of He-HN2 + and He2-HN2 + Journal of Chemical Physics. 104: 3876-3885.  0.449
1996 Dopfer O, Nizkorodov SA, Meuwly M, Bieske EJ, Maier JP. The v3 infrared spectrum of the He-NH+ 4 complex Chemical Physics Letters. 260: 545-550.  0.463
1996 Nizkorodov SA, Dopfer O, Meuwly M, Maier JP, Bieske EJ. Mid-infrared spectra of the proton-bound complexes Nen-HCO+ (n = 1,2) Journal of Chemical Physics. 105: 1770-1777.  0.485
1995 Nizkorodov SA, Dopfer O, Ruchti T, Meuwly M, Maier JP, Bieske EJ. Size Effects in Cluster Infrared Spectra: the .nu.1 Band of Arn-HCO+ (n = 1-13) The Journal of Physical Chemistry. 99: 17118-17129. DOI: 10.1021/J100047A013  0.747
1995 Nizkorodov SA, Dopfer O, Ruchti T, Meuwly M, Maier JP, Bieske EJ. Size effects in cluster infrared spectra: The ν1 band of Arn-HCO+ (n = 1-13) Journal of Physical Chemistry. 99: 17118-17129.  0.471
Show low-probability matches.