Authors: Milovanović, Milan R., Dherbassy, Quentin, Wencel‐Delord, Joanna, Colobert, Françoise, Zarić, Snežana D., Đukić, Jean-Pierre

Superior Title: ChemPhysChem

Subject Terms: density functional theory, hexafluoroisopropanol, isothemal titration calorimetry, Lewis adducts, solvation

Relation: info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS//; ANR-DFG project COCOORDCHEM.; Campus France and the Fund for young talents – Dositeja.; https://cherry.chem.bg.ac.rs/handle/123456789/4339; 000559834100001; 2-s2.0-85089504324; https://cherry.chem.bg.ac.rs/bitstream/id/26613/The_Affinity_of_acc_2020.pdf

Availability: https://doi.org/10.1002/cphc.202000560
https://cherry.chem.bg.ac.rs/handle/123456789/4339
https://cherry.chem.bg.ac.rs/bitstream/id/26613/The_Affinity_of_acc_2020.pdf

Authors: Milovanović, Milan R., Dherbassy, Quentin, Wencel‐Delord, Joanna, Colobert, Françoise, Zarić, Snežana D., Đukić, Jean-Pierre

Superior Title: ChemPhysChem

Subject Terms: density functional theory, hexafluoroisopropanol, isothemal titration calorimetry, Lewis adducts, solvation

Relation: info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS//; ANR-DFG project COCOORDCHEM.; Campus France and the Fund for young talents – Dositeja.; https://cherry.chem.bg.ac.rs/handle/123456789/4346; https://cherry.chem.bg.ac.rs/bitstream/id/26646/The_Affinity_of_sup_2020.pdf; https://hdl.handle.net/21.15107/rcub_cherry_4346

Availability: https://cherry.chem.bg.ac.rs/handle/123456789/4346
https://cherry.chem.bg.ac.rs/bitstream/id/26646/The_Affinity_of_sup_2020.pdf
https://hdl.handle.net/21.15107/rcub_cherry_4346

Authors: Granda Marulanda, L.P., Builes, S., Koper, M.T.M., Calle-Vallejo, F.

Superior Title: CHEMPHYSCHEM

Subject Terms: adsorbate solvation, density functional theory, near-surface alloys, oxygen reduction reaction, platinum

File Description: application/pdf

Relation: lucris-id: 120667408; https://hdl.handle.net/1887/80614

Availability: https://doi.org/10.1002/cphc.201900512
https://hdl.handle.net/1887/80614

Authors: Milovanović, Branislav, Stanković, Ivana, Petković, Milena, Etinski, Mihajlo

Superior Title: ChemPhysChem

Subject Terms: density functional theory, hydrogen bond, molecular dynamics, proton transfer, solvation, molecular-dynamics simulation, liquid-methanol, fluctuations, ab-initio mb, proton-transfer, low-barrier, noncovalent interactions, crystal-structure, electric-fields, symmetry

Relation: info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172040/RS//; https://cer.ihtm.bg.ac.rs/handle/123456789/3318; 2-s2.0-85074412934; 000491179000001

Availability: https://doi.org/10.1002/cphc.201900704
https://cer.ihtm.bg.ac.rs/handle/123456789/3318

Authors: Bouwman, J., Horst, S., Oomens, J.

Superior Title: CHEMPHYSCHEM

Subject Terms: carbocations, density functional theory, IR spectroscopy, mass spectrometry, structure elucidation

File Description: application/pdf

Relation: lucris-id: 99082563; https://hdl.handle.net/1887/69300

Availability: https://doi.org/10.1002/cphc.201800846
https://hdl.handle.net/1887/69300

Authors: Qin, Gangqiang, Cui, Qianyi, Wang, Weihua, Li, Ping, Du, Aijun, Sun, Qiao

Superior Title: ChemPhysChem

Subject Terms: CN monolayer, CO capture, density functional theory, electrochemical methods, gas separation

Relation: Qin, Gangqiang, Cui, Qianyi, Wang, Weihua, Li, Ping, Du, Aijun, & Sun, Qiao (2018) First-Principles Study of Electrocatalytically Reversible CO2 Capture on Graphene-like C3N. ChemPhysChem, 19(20), pp. 2788-2795.; https://eprints.qut.edu.au/174634/; Institute for Future Environments; Science & Engineering Faculty; School of Chemistry, Physics & Mechanical Engineering

Availability: https://doi.org/10.1002/cphc.201800385
https://eprints.qut.edu.au/174634/

Authors: Feuerstein, Wolfram, Hoefener, Sebastian, Klopper, Wim, Lamparth, Iris, Moszner, Norbert, Barner-Kowollik, Christopher, Unterreiner, Andreas-Neil

Superior Title: ChemPhysChem

Subject Terms: benzoylgermanes, conical, density functional calculations, density-functional theory, energy-transfer, excited states, excited-states, fluorescence, germyl ketones, intersections, large molecules, measurements, photocleavable structures, quantum yield, transition states, visible-light photoinitiators

Relation: Feuerstein, Wolfram, Hoefener, Sebastian, Klopper, Wim, Lamparth, Iris, Moszner, Norbert, Barner-Kowollik, Christopher, & Unterreiner, Andreas-Neil (2016) Photophysical properties of benzoylgermane and para-substituted derivatives: Substituent effects on electronic transitions. ChemPhysChem, 17(21), pp. 3460-3469.; https://eprints.qut.edu.au/104518/; Science & Engineering Faculty; School of Chemistry, Physics & Mechanical Engineering

Availability: https://doi.org/10.1002/cphc.201600712
https://eprints.qut.edu.au/104518/

Authors: Malenov, Dušan P., Ninković, Dragan, Zarić, Snežana D.

Superior Title: Chemphyschem

Subject Terms: aromatics, CCSD(T)/CBS, density functional theory, dispersion correction, metal chelates

Relation: info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS//; Qatar Foundation for Education, Science and Community Development; https://cherry.chem.bg.ac.rs/handle/123456789/1675; 000351162000008; 2-s2.0-84924386245

Availability: https://doi.org/10.1002/cphc.201402589
https://cherry.chem.bg.ac.rs/handle/123456789/1675

Authors: Malenov, Dušan P., Ninković, Dragan, Zarić, Snežana D.

Superior Title: Chemphyschem

Subject Terms: aromatics, CCSD(T)/CBS, density functional theory, dispersion correction, metal chelates

Relation: info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS//; Qatar Foundation for Education, Science and Community Development; https://cherry.chem.bg.ac.rs/handle/123456789/3428; https://cherry.chem.bg.ac.rs/bitstream/id/14977/Stacking_of_Metal_sup_2015.pdf; https://hdl.handle.net/21.15107/rcub_cherry_3428

Availability: https://cherry.chem.bg.ac.rs/handle/123456789/3428
https://cherry.chem.bg.ac.rs/bitstream/id/14977/Stacking_of_Metal_sup_2015.pdf
https://hdl.handle.net/21.15107/rcub_cherry_3428

Authors: Sredojević, Dušan N., Ninković, Dragan, Janjić, Goran V., Zhou, Jia, Hall, Michael B., Zarić, Snežana D.

Superior Title: Chemphyschem

Subject Terms: ab initio calculations, chelate rings, density functional theory, nonbonded interactions, stacking interactions

Relation: info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS//; NSF [CHE-0910552]; Humboldt Foundation; https://cherry.chem.bg.ac.rs/handle/123456789/1365; 000320383300007; 2-s2.0-84879132524

Availability: https://doi.org/10.1002/cphc.201201062
https://cherry.chem.bg.ac.rs/handle/123456789/1365

Authors: Ninković, Dragan, Janjić, Goran V., Veljković, Dušan Ž., Sredojević, Dušan N., Zarić, Snežana D.

Superior Title: Chemphyschem

Subject Terms: aromatic compounds, computational chemistry, crystal structures, density functional theory, noncovalent interactions

Relation: info:eu-repo/grantAgreement/MESTD/MPN2006-2010/142037/RS//; Humboldt foundation; https://cherry.chem.bg.ac.rs/handle/123456789/1234; 000298354900005; 2-s2.0-83755163110

Availability: https://doi.org/10.1002/cphc.201100777
https://cherry.chem.bg.ac.rs/handle/123456789/1234

Authors: Sredojević, Dušan N., Ninković, Dragan, Janjić, Goran V., Zhou, Jia, Hall, Michael B., Zarić, Snežana D.

Superior Title: Chemphyschem

Subject Terms: ab initio calculations, chelate rings, density functional theory, nonbonded interactions, stacking interactions

Relation: info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS//; NSF [CHE-0910552]; Humboldt Foundation; https://cherry.chem.bg.ac.rs/handle/123456789/3524; https://cherry.chem.bg.ac.rs/bitstream/id/15455/Stacking_Interactions_of_sup_2013.pdf; https://hdl.handle.net/21.15107/rcub_cherry_3524

Availability: https://cherry.chem.bg.ac.rs/handle/123456789/3524
https://cherry.chem.bg.ac.rs/bitstream/id/15455/Stacking_Interactions_of_sup_2013.pdf
https://hdl.handle.net/21.15107/rcub_cherry_3524

Authors: Bucher, Götz, Lu, Changyuan, Sander, Wolfram

Superior Title: ChemPhysChem

Subject Terms: ddc:540, ab initio study of ring cleavage of 1,2-dithiolane (Erratum), Activation enthalpy, CASSCF, Cyclization, Density functional theory (B3LYP, Electronic energy transfer (triplet-state, energy transfer, triplet, Excited triplet state, Flash photolysis, Flash photolysis kinetics, Free energy (electron transfer, Hydrogen shift (1,4-, Optical absorption (transient, Oxidation (one-electron, photochem. of lipoic acid and photoionization and observation of triplet excited state of disulfide (Erratum), Self-consistent reaction field (PCM solvation model, Solvated electrons (photochem. of lipoic acid and photoionization and observation of triplet excited state of disulfide (Erratum), Transition state structure (ab initio study of ring cleavage of 1,2-dithiolane (Erratum)

Relation: urn:issn:1439-4235

Availability: https://bibliographie.ub.rub.de/entry/66169145-ba99-4317-a860-2bad2b471267

Authors: Bucher, Götz, Lu, Changyuan, Sander, Wolfram

Superior Title: ChemPhysChem

Subject Terms: ddc:540, ab initio study of ring cleavage of 1,2-dithiolane), Activation enthalpy, CASSCF, Cyclization, Density functional theory (B3LYP, Electronic energy transfer (triplet-state, energy transfer, triplet, Excited triplet state, Flash photolysis, Flash photolysis kinetics, Free energy (electron transfer, Hydrogen shift (1,4-, Optical absorption (transient, Oxidation (one-electron, photochem. of lipoic acid and photoionization and observation of triplet excited state of disulfide), Self-consistent reaction field (PCM solvation model, Solvated electrons (photochem. of lipoic acid and photoionization and observation of triplet excited state of disulfide), Transition state structure (ab initio study of ring cleavage of 1,2-dithiolane)

File Description: 2607–2618

Relation: urn:issn:1439-4235

Availability: https://bibliographie.ub.rub.de/entry/211d530b-93f0-42cb-9c04-f851f2a33a05

Superior Title: ChemPhysChem

Index Terms: density functional theory, hexafluoroisopropanol, isothemal titration calorimetry, Lewis adducts, solvation, dataset

URL: info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS
ANR-DFG project COCOORDCHEM.
Campus France and the Fund for young talents – Dositeja.

Superior Title: ChemPhysChem

Index Terms: density functional theory, hexafluoroisopropanol, isothemal titration calorimetry, Lewis adducts, solvation, dataset

URL: info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS
ANR-DFG project COCOORDCHEM.
Campus France and the Fund for young talents – Dositeja.

Superior Title: ChemPhysChem

Index Terms: density functional theory, hexafluoroisopropanol, isothemal titration calorimetry, Lewis adducts, solvation, article

URL: http://cherry.chem.bg.ac.rs/handle/123456789/4337
info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS
ANR-DFG project COCOORDCHEM.
Campus France and the Fund for young talents – Dositeja.

Superior Title: ChemPhysChem

Index Terms: density functional theory, hexafluoroisopropanol, isothemal titration calorimetry, Lewis adducts, solvation, dataset

URL: info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS
ANR-DFG project COCOORDCHEM.
Campus France and the Fund for young talents – Dositeja.

Superior Title: ChemPhysChem

Index Terms: density functional theory, hexafluoroisopropanol, isothemal titration calorimetry, Lewis adducts, solvation, article

URL: http://cherry.chem.bg.ac.rs/handle/123456789/4339
http://cherry.chem.bg.ac.rs/bitstream/id/26613/The_Affinity_of_acc_2020.pdf
info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS
ANR-DFG project COCOORDCHEM.
Campus France and the Fund for young talents – Dositeja.

Superior Title: ChemPhysChem

Index Terms: density functional theory, hexafluoroisopropanol, isothemal titration calorimetry, Lewis adducts, solvation, article

URL: http://cherry.chem.bg.ac.rs/handle/123456789/4337
info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS
ANR-DFG project COCOORDCHEM.
Campus France and the Fund for young talents – Dositeja.