Development of density functionals for thermochemical kinetics von Boese, A Daniel, Martin, Jan M L

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W3 theory: robust computational thermochemistry in the kJ/mol accuracy range von Boese, A Daniel, Oren, Mikhal, Atasoylu, Onur, Martin, Jan M L, Kallay, Mihaly, Gauss, Jurgen

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A new parametrization of exchange–correlation generalized gradient approximation functionals von Boese, A. Daniel, Handy, Nicholas C.

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New exchange-correlation density functionals: The role of the kinetic-energy density von Boese, A. Daniel, Handy, Nicholas C.

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Benchmark Study of DFT Functionals for Late-Transition-Metal Reactions von Quintal, Miriam M, Karton, Amir, Iron, Mark A, Boese, A. Daniel, Martin, Jan M. L

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Vibrational Spectra of the Azabenzenes Revisited:  Anharmonic Force Fields von Boese, A. Daniel, Martin, Jan M. L

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New generalized gradient approximation functionals von Boese, A. Daniel, Doltsinis, Nikos L., Handy, Nicholas C., Sprik, Michiel

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The role of the basis set: Assessing density functional theory von Boese, A. Daniel, Martin, Jan M. L., Handy, Nicholas C.

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From ab initio quantum chemistry to molecular dynamics: The delicate case of hydrogen bonding in ammonia von Boese, A. Daniel, Chandra, Amalendu, Martin, Jan M. L., Marx, Dominik

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Cold inelastic collisions of He(1S) with the smallest astrophysical anion observed, CN−(1Σ+): an accurate quantum dynamical study von Carelli, F., Boese, A.D., Gianturco, F.A., Wester, R.

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Assessment of various density functionals and basis sets for the calculation of molecular anharmonic force fields von Boese, A. Daniel, Klopper, Wim, Martin, Jan M. L.

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Unusual hydrogen bonding behavior in binary complexes of coinage metal anions with water von Schneider, Holger, Boese, A Daniel, Weber, J Mathias

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C 2 fragmentation energy of C 60 revisited: theory disagrees with most experiments von Boese, A.Daniel, Scuseria, Gustavo E.

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Report on the sixth blind test of organic crystal structure prediction methods von Reilly, AM, Cooper, RI, Adjiman, CS, Bhattacharya, S, Boese, AD, Brandenburg, JG, Bygrave, PJ, Bylsma, R, Campbell, JE, Car, R, Case, DH, Chadha, R, Cole, JC, Cosburn, K, Cuppen, HM, Curtis, F, Day, GM, DiStasio, RA, Dzyabchenko, A, Van Eijck, BP, Elking, DM, Van den Ende, JA, Facelli, JC, Ferraro, MB, Fusti-Molnar, L, Gatsiou, CA, Gee, TS, De Gelder, R, Ghiringhelli, LM, Goto, H, Grimme, S, Guo, R, Hofmann, DW, Hoja, J, Hylton, RK, Iuzzolino, L, Jankiewicz, W, De Jong, DT, Kendrick, J, De Klerk, NJ, Ko, HY, Kuleshova, LN, Li, X, Lohani, S, Leusen, FJ, Lund, AM, Lv, J, Ma, Y, Marom, N, Masunov, AE, McCabe, P, McMahon, DP, Meekes, H, Metz, MP, Misquitta, AJ, Mohamed, S, Monserrat, B, Needs, RJ, Neumann, MA, Nyman, J, Obata, S, Oberhofer, H, Oganov, AR, Orendt, AM, Pagola, GI, Pantelides, CC, Pickard, CJ, Podeszwa, R, Price, LS, Price, SL, Pulido, A, Read, MG, Reuter, K, Schneider, E, Schober, C, Shields, GP, Singh, P, Sugden, IJ, Szalewicz, K, Taylor, CR, Tkatchenko, A, Tuckerman, ME, Vacarro, F, Vasileiadis, M, Vazquez-Mayagoitia, A, Vogt, L, Wang, Y, Watson, RE, De Wijs, GA, Yang, J, Zhu, Q, Groom, CR

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The Surprising Crystal Packing of Chlorinefluoride von Boese, Roland, Boese, A. Daniel, Bláser, Dieter, Antipin, Michail Yu, Ellern, Arkadi, Seppelt, Konrad

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Report on the sixth blind test of organic crystal structure prediction methods von Reilly, AM, Cooper, RI, Adjiman, CS, Bhattacharya, S, Boese, AD, Brandenburg, JG, Bygrave, PJ, Bylsma, R, Campbell, JE, Car, R, Case, DH, Chadha, R, Cole, JC, Cosburn, K, Cuppen, HM, Curtis, F, Day, GM, DiStasio, RA, Dzyabchenko, A, Van Eijck, BP, Elking, DM, Van Den Ende, JA, Facelli, JC, Ferraro, MB, Fusti-Molnar, L, Gatsiou, CA, Gee, TS, De Gelder, R, Ghiringhelli, LM, Goto, H, Grimme, S, Guo, R, Hofmann, DWM, Hoja, J, Hylton, RK, Iuzzolino, L, Jankiewicz, W, De Jong, DT, Kendrick, J, De Klerk, NJJ, Ko, HY, Kuleshova, LN, Li, X, Lohani, S, Leusen, FJJ, Lund, AM, Lv, J, Ma, Y, Marom, N, Masunov, AE, McCabe, P, McMahon, DP, Meekes, H, Metz, MP, Misquitta, AJ, Mohamed, S, Monserrat, B, Needs, RJ, Neumann, MA, Nyman, J, Obata, S, Oberhofer, H, Oganov, AR, Orendt, AM, Pagola, GI, Pantelides, CC, Pickard, CJ, Podeszwa, R, Price, LS, Price, SL, Pulido, A, Read, MG, Reuter, K, Schneider, E, Schober, C, Shields, GP, Singh, P, Sugden, IJ, Szalewicz, K, Taylor, CR, Tkatchenko, A, Tuckerman, ME, Vacarro, F, Vasileiadis, M, Vazquez-Mayagoitia, A, Vogt, L, Wang, Y, Watson, RE, De Wijs, GA, Yang, J, Zhu, Q, Groom, CR

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Report on the sixth blind test of organic crystal structure prediction methods von Reilly, AM, Cooper, RI, Adjiman, CS, Bhattacharya, S, Boese, AD, Brandenburg, JG, Bygrave, PJ, Bylsma, R, Campbell, JE, Car, R, Case, DH, Chadha, R, Cole, JC, Cosburn, K, Cuppen, HM, Curtis, F, Day, GM, DiStasio, RA, Dzyabchenko, A, van Eijck, BP, Elking, DM, van den Ende, JA, Facelli, JC, Ferraro, MB, Fusti-Molnar, L, Gatsiou, C-A, Gee, TS, de Gelder, R, Ghiringhelli, LM, Goto, H, Grimme, S, Guo, R, Hofmann, DWM, Hoja, J, Hylton, RK, Iuzzolino, L, Jankiewicz, W, de Jong, DT, Kendrick, J, de Klerk, NJJ, Ko, H-Y, Kuleshova, LN, Li, X, Lohani, S, Leusen, FJJ, Lund, AM, Lv, J, Ma, Y, Marom, N, Masunov, AE, McCabe, P, McMahon, DP, Meekes, H, Metz, MP, Misquitta, AJ, Mohamed, S, Monserrat, B, Needs, RJ, Neumann, MA, Nyman, J, Obata, S, Oberhofer, H, Oganov, AR, Orendt, AM, Pagola, GI, Pantelides, CC, Pickard, CJ, Podeszwa, R, Price, LS, Price, SL, Pulido, A, Read, MG, Reuter, K, Schneider, E, Schober, C, Shields, GP, Singh, P, Sugden, IJ, Szalewicz, K, Taylor, CR, Tkatchenko, A, Tuckerman, ME, Vacarro, F, Vasileiadis, M, Vazquez-Mayagoitia, A, Vogt, L, Wang, Y, Watson, RE, de Wijs, GA, Yang, J, Zhu, Q, Groom, CR

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Reflexive Praktikumsbegleitung – Multikriteriale und multiperspektivische Mehrebenenanalysen zum Einfluss von Prozessmerkmalen, Seminarinhalten und Merkmalen der Praktikumsbegleite...

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UNITÀ CUSCINETTO VOLVENTE ELETTRICAMENTE ISOLANTE von BOESE HELMUT, KREBS MATTHIAS

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Generic Entanglement Generation, Quantum Statistics, and Complementarity von Bose, S., Home, D.

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